Generated Narrative: StructureDefinition pqcmc-drug-substance-nomenclature-structure Name Flags Card. Type Description & Constraints SubstanceDefinition <a style="padding-left: 3px; padding-right: 3px; border: 1px maroon solid; font-weight: bold; color: #301212; background-color: #fdf4f4;; padding-left: 3px; padding-right: 3px; border: 1px maroon solid; font-weight: bold; color: #301212; background-color: #fdf4f4;" href="http://hl7.org/fhir/R5/conformance-rules.html#constraints" title="This element has or is affected by constraints ( cmc-when-unii-required, cmc-name-isbt, cmc-structure-required, cmc-substance-structure-graphic-required )">C 0..* SubstanceDefinition The detailed description of a substance, typically at a level beyond what is used for prescribing Constraints: cmc-when-unii-required, cmc-name-isbt, cmc-structure-required, cmc-substance-structure-graphic-required #xD; identifier S 0..1 Identifier optional user designated identifier #xD; <a href="StructureDefinition-pqcmc-drug-substance-nomenclature-structure-definitions.html#SubstanceDefinition.classification" title="A controlled vocabulary as provided by the prEN ISO 11238 - Health informatics identification of medicinal products - Structures and controlled vocabularies for drug substances to group drug substances at a relatively high level acording to the Substance and the Substance Preparation Model.#xA;[Source: Adapted from 'Logical model of the classification and identification of pharmaceutical and medicinal Products', HL7]">classification S 1..1 CodeableConcept Substance Type Binding: Substance Classification (required) #xD; manufacturer S 1..1 LiteralReference(Basic Organization) {b} The entity that creates, makes, produces or fabricates the substance #xD; supplier S 0..1 LiteralReference(Basic Organization) {b} An entity that is the source for the substance. It may be different from the manufacturer #xD; molecularWeight S 0..1 BackboneElement Molecular Weight #xD; amount S 1..1 Quantity Used to capture quantitative values for a variety of elements Binding: Units Of Measure (extensible) #xD; unit 0..1 string Molecular Weight UOM #xD; code S 1..1 code Coded form of the unit #xD; structure S<a style="padding-left: 3px; padding-right: 3px; border: 1px maroon solid; font-weight: bold; color: #301212; background-color: #fdf4f4;; padding-left: 3px; padding-right: 3px; border: 1px maroon solid; font-weight: bold; color: #301212; background-color: #fdf4f4;" href="http://hl7.org/fhir/R5/conformance-rules.html#constraints" title="This element has or is affected by constraints ( cmc-structure-representation-required )">C 1..1 BackboneElement Structural information Constraints: cmc-structure-representation-required #xD; molecularFormula S 0..1 string Molecular Formula | Biopolymer Sequence #xD; technique S 1..1 CodeableConceptTextOnly Substance Characterisation Technique #xD; Slices for representation S 1..* BackboneElement Impurity Structure Graphic | Impurity Structure Data File Slice: Unordered, Closed by value:type #xD; representation:All Slices Content/Rules for all slices #xD; type S 1..1 CodeableConcept The kind of structural representation (e.g. full, partial) Binding: Representation Types (required) #xD; representation:graphic S 0..1 BackboneElement A graphical, displayable depiction of the structure (e.g. an SVG, PNG) #xD; type 1..1 CodeableConcept Graphic Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C54273 #xD; <a href="StructureDefinition-pqcmc-drug-substance-nomenclature-structure-definitions.html#SubstanceDefinition.structure.representation:graphic.document" title="A pictorial representation of the structure of the impurity substance. #xA;[Source: SME Defined] Note: Refer to the 'Acceptable File Formats for #xA;use in eCTD' Example: This is the representation of the molecule CH3OH, #xA;or the sequence SHLVEALALVAGERG.">document 1..1 LiteralReference(Graphic Reference) {b} Impurity Structure Graphic #xD; representation:structureFile S 0..* BackboneElement machine-readable representation -- attached file #xD; type 1..1 CodeableConcept Structure File Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C103240 #xD; document S 1..1 LiteralReference(Structure Data Reference) {b} Impurity Chemical Structure Data (files, e.g. .SDF, .CIF) #xD; representation:structureString S 0..* BackboneElement machine-readable representation -- plain text #xD; type 1..1 CodeableConcept Structure Textual Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C45253 #xD; representation S 1..1 string Impurity Chemical Structure Data (short, plain text representations, e.g. SMILES) #xD; format S 1..1 CodeableConcept Drug Substance Impurity Method Type Binding: Chemical Structure Data File Type Terminology (required) #xD; Slices for code S 1..* BackboneElement Codes associated with the substance Slice: Unordered, Open by value:code.coding.system #xD; <a href="StructureDefinition-pqcmc-drug-substance-nomenclature-structure-definitions.html#SubstanceDefinition.code:unii" title="Slice unii: The UNII is a non-proprietary, free, unique, unambiguous, non-semantic, alphanumeric identifier based on a substance’s molecular structure and/or descriptive information. [Source: http://www.fda.gov/ForIndustry/DataStandards/SubstanceRegistrationSystem-UniqueIngredientIdentifierUNII/]#xA;Example: 362O9ITL9D#xA;Note: If a UNII does not exist, please go to http://www.fda.gov/ForIndustry/DataStandards/SubstanceRegistrationSystem-UniqueIngredientIdentifierUNII/">code:unii S 0..1 BackboneElement UNII #xD; code S 1..1 CodeableConcept The specific code #xD; coding S 1..1 Coding Code defined by a terminology system #xD; system S 1..1 uri Identity of the terminology system Required Pattern: http://fdasis.nlm.nih.gov #xD; code:uniProt S 0..1 BackboneElement UniProt ID #xD; code S 1..1 CodeableConcept The specific code #xD; coding S 1..1 Coding Code defined by a terminology system #xD; system S 1..1 uri Identity of the terminology system Required Pattern: http://terminology.hl7.org/NamingSystem/UniProt #xD; Slices for name S<a style="padding-left: 3px; padding-right: 3px; border: 1px maroon solid; font-weight: bold; color: #301212; background-color: #fdf4f4;; font-style: italic; padding-left: 3px; padding-right: 3px; border: 1px maroon solid; font-weight: bold; color: #301212; background-color: #fdf4f4;; font-style: italic" href="http://hl7.org/fhir/R5/conformance-rules.html#constraints" title="This element has or is affected by constraints ( cmc-name-preferred )">C 1..* BackboneElement Subtance Name Slice: Unordered, Closed by value:type Constraints: cmc-name-preferred #xD; name:All Slices Content/Rules for all slices #xD; type 0..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Binding: Substance Name Type (required) #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:sys S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string Systematic #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C203357 #xD; display 1..1 string Representation defined by the system Fixed Value: Systematic Name #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:sub S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string Generic #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C97054 #xD; display 1..1 string Representation defined by the system Fixed Value: Generic Name #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:brand S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string Brand #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C71898 #xD; display 1..1 string Representation defined by the system Fixed Value: Brand #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:gsrs S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string GSRS Preferred Term #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C203355 #xD; display 1..1 string Representation defined by the system Fixed Value: GSRS Preferred Term #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:usp S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string USP-NF Established Name #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C203358 #xD; display 1..1 string Representation defined by the system Fixed Value: USP-NF Established Name #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:cas S 0..1 BackboneElement Names applicable to this substance #xD; <a href="StructureDefinition-pqcmc-drug-substance-nomenclature-structure-definitions.html#SubstanceDefinition.name:cas.name" title="Chemical Abstract Service (CAS) Registry Numbers (often referred to as CAS RNs or CAS Numbers) are used to provide identifiers for chemical substances. A CAS Registry Number itself has no inherent chemical significance but provides a way to identify a chemical substance or molecular structure when there are many possible systematic, generic, proprietary or trivial names. [Source: Adapted from CAS.org]#xA;Example: CAS [103-90-2]">name S 1..1 string CAS Number #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C54682 #xD; display 1..1 string Representation defined by the system Fixed Value: CAS Number #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:inn S 0..1 BackboneElement Names applicable to this substance #xD; <a href="StructureDefinition-pqcmc-drug-substance-nomenclature-structure-definitions.html#SubstanceDefinition.name:inn.name" title="International Nonproprietary Names (INN) is a unique name that is globally recognized and is public property. A nonproprietary name is also known as a generic name. Note: International Nonproprietary Names (INN) facilitate the identification of pharmaceutical substances or active pharmaceutical ingredients [Source: http://www.who.int/medicines/services/inn/en/] Example: Paracetamol">name S 1..1 string INN #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C142585 #xD; display 1..1 string Representation defined by the system Fixed Value: INN #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:usan S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string USAN #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C96973 #xD; display 1..1 string Representation defined by the system Fixed Value: USAN #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:iupac S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string IUPAC Name #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C203356 #xD; display 1..1 string Representation defined by the system Fixed Value: IUPAC Name #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:isbt S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string ISBT-128 DIN #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C95517 #xD; display 1..1 string Representation defined by the system Fixed Value: ISBT-128 DIN #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; name:comp S 0..1 BackboneElement Names applicable to this substance #xD; name S 1..1 string Company ID/Code #xD; type S 1..1 CodeableConcept Name type e.g. 'systematic', 'scientific, 'brand' Required Pattern: At least the following #xD; coding 1..* Coding Code defined by a terminology system Fixed Value: (complex) #xD; system 1..1 uri Identity of the terminology system Fixed Value: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl #xD; code 1..1 code Symbol in syntax defined by the system Fixed Value: C203354 #xD; display 1..1 string Representation defined by the system Fixed Value: Company ID/Code #xD; preferred S 0..1 boolean True when the name type is Substance Name #xD; relationship S 0..* BackboneElement A link between this substance and another #xD; substanceDefinition[x] 0..1 LiteralReference(Polymorphic Form) {b} The substance definition of a polyphorm of the Drug Substance #xD; type 1..1 CodeableConceptTextOnly Polymorph #xD; text 1..1 string Plain text representation of the concept Required Pattern: Polymorph #xD; Documentation for this format
HL7 International / Biomedical Research and Regulation
Substance General Information containing Drug Substance (Active Ingredient) nomenclature (3.2.S.1.1) and Substance Structure (3.2.S.1.2) profile.
The detailed description of a substance, typically at a level beyond what is used for prescribing
If the resource is contained in another resource, it SHALL NOT contain nested Resources
If the resource is contained in another resource, it SHALL be referred to from elsewhere in the resource or SHALL refer to the containing resource
contained.where((('#'+id in (%resource.descendants().reference | %resource.descendants().ofType(canonical) | %resource.descendants().ofType(uri) | %resource.descendants().ofType(url))) or descendants().where(reference = '#').exists() or descendants().where(ofType(canonical) = '#').exists() or descendants().where(ofType(canonical) = '#').exists()).not()).trace('unmatched', id).empty()
If a resource is contained in another resource, it SHALL NOT have a meta.versionId or a meta.lastUpdated
contained.meta.versionId.empty() and contained.meta.lastUpdated.empty()
If a resource is contained in another resource, it SHALL NOT have a security label
When a resource has no narrative, only systems that fully understand the data can display the resource to a human safely. Including a human readable representation in the resource makes for a much more robust eco-system and cheaper handling of resources by intermediary systems. Some ecosystems restrict distribution of resources to only those systems that do fully understand the resources, and as a consequence implementers may believe that the narrative is superfluous. However experience shows that such eco-systems often open up to new participants over time.
A resource should have narrative for robust management
A UNII is required in code for any of these categories: 'Chemical', 'Mixture', 'Nucleic Acids','Polymer'. A UniProt code is required for any of these categories: 'Protein'
(classification.coding.where(system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl' and (code in ('C48807' | 'C45305' | 'C706' | 'C48803'))).exists() implies code.where( code.coding.exists(system = 'http://fdasis.nlm.nih.gov') ).exists()) and (classification.coding.where( system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl' and code = 'C17021' ).exists() implies code.where( code.coding.exists(system = 'http://terminology.hl7.org/NamingSystem/UniProt') ).exists())
Name.type ISBT 128 required for blood products.
classification.where(coding.where(code = '8' and system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl').exists()).exists() implies name.type.coding.exists(code = '226' and system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl')
A structure is required in code for any of these categories: 'Chemical', 'Mixture', 'Nucleic Acids','Polymer','Protein'.
classification.coding.where(system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl' and (code in 'C48807' | 'C45305' | 'C706' | 'C48803' |'C17021') ).exists() implies structure.exists()
A Substance Structure Graphic is required Required for Small Molecules. Equivalent to classification code equals 'Chemical'.
(classification.where(coding.where(code = '1' and system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl').exists()).exists()) implies structure.representation.exists()
Substance (and derived classes: Chemical, Polymer, Protein, Nucleic_Acid, Structurally_Diverse)
The logical id of the resource, as used in the URL for the resource. Once assigned, this value never changes.
Within the context of the FHIR RESTful interactions, the resource has an id except for cases like the create and conditional update. Otherwise, the use of the resouce id depends on the given use case.
The metadata about the resource. This is content that is maintained by the infrastructure. Changes to the content might not always be associated with version changes to the resource.
All FHIR elements must have a @value or children
hasValue() or (children().count() > id.count())
A set of rules under which this content was created
A reference to a set of rules that were followed when the resource was constructed, and which must be understood when processing the content. Often, this is a reference to an implementation guide that defines the special rules along with other profiles etc.
Asserting this rule set restricts the content to be only understood by a limited set of trading partners. This inherently limits the usefulness of the data in the long term. However, the existing health eco-system is highly fractured, and not yet ready to define, collect, and exchange data in a generally computable sense. Wherever possible, implementers and/or specification writers should avoid using this element. Often, when used, the URL is a reference to an implementation guide that defines these special rules as part of its narrative along with other profiles, value sets, etc.
This element is labeled as a modifier because the implicit rules may provide additional knowledge about the resource that modifies its meaning or interpretation
The base language in which the resource is written.
Language is provided to support indexing and accessibility (typically, services such as text to speech use the language tag). The html language tag in the narrative applies to the narrative. The language tag on the resource may be used to specify the language of other presentations generated from the data in the resource. Not all the content has to be in the base language. The Resource.language should not be assumed to apply to the narrative automatically. If a language is specified, it should it also be specified on the div element in the html (see rules in HTML5 for information about the relationship between xml:lang and the html lang attribute).
Text summary of the resource, for human interpretation
A human-readable narrative that contains a summary of the resource and can be used to represent the content of the resource to a human. The narrative need not encode all the structured data, but is required to contain sufficient detail to make it "clinically safe" for a human to just read the narrative. Resource definitions may define what content should be represented in the narrative to ensure clinical safety.
Contained resources do not have a narrative. Resources that are not contained SHOULD have a narrative. In some cases, a resource may only have text with little or no additional discrete data (as long as all minOccurs=1 elements are satisfied). This may be necessary for data from legacy systems where information is captured as a "text blob" or where text is additionally entered raw or narrated and encoded information is added later.
These resources do not have an independent existence apart from the resource that contains them - they cannot be identified independently, nor can they have their own independent transaction scope. This is allowed to be a Parameters resource if and only if it is referenced by a resource that provides context/meaning.
This should never be done when the content can be identified properly, as once identification is lost, it is extremely difficult (and context dependent) to restore it again. Contained resources may have profiles and tags in their meta elements, but SHALL NOT have security labels.
Additional content defined by implementations
May be used to represent additional information that is not part of the basic definition of the resource. To make the use of extensions safe and managable, there is a strict set of governance applied to the definition and use of extensions. Though any implementer can define an extension, there is a set of requirements that SHALL be met as part of the definition of the extension.
There can be no stigma associated with the use of extensions by any application, project, or standard - regardless of the institution or jurisdiction that uses or defines the extensions. The use of extensions is what allows the FHIR specification to retain a core level of simplicity for everyone.
Must have either extensions or value[x], not both
May be used to represent additional information that is not part of the basic definition of the resource and that modifies the understanding of the element that contains it and/or the understanding of the containing element's descendants. Usually modifier elements provide negation or qualification. To make the use of extensions safe and managable, there is a strict set of governance applied to the definition and use of extensions. Though any implementer is allowed to define an extension, there is a set of requirements that SHALL be met as part of the definition of the extension. Applications processing a resource are required to check for modifier extensions. Modifier extensions SHALL NOT change the meaning of any elements on Resource or DomainResource (including cannot change the meaning of modifierExtension itself).
Modifier extensions allow for extensions that *cannot* be safely ignored to be clearly distinguished from the vast majority of extensions which can be safely ignored. This promotes interoperability by eliminating the need for implementers to prohibit the presence of extensions. For further information, see the [definition of modifier extensions](http://hl7.org/fhir/R5/extensibility.html#modifierExtension).
Modifier extensions are expected to modify the meaning or interpretation of the resource that contains them
Identifier by which this substance is known.
A business level version identifier of the substance
Status of substance within the catalogue e.g. active, retired
A controlled vocabulary as provided by the prEN ISO 11238 - Health informatics identification of medicinal products - Structures and controlled vocabularies for drug substances to group drug substances at a relatively high level acording to the Substance and the Substance Preparation Model. [Source: Adapted from 'Logical model of the classification and identification of pharmaceutical and medicinal Products', HL7]
Substance_Classification.Substance_Classification and Substance_classification.Substance_Classification_Subtype
If the substance applies to human or veterinary use
Applicable domain for this product (e.g. human, veterinary).
Substance_Classification.Substance_Classification (and Code and Type) and Substance_Classification.Substance_Classification_Subtype
The quality standard, established benchmark, to which substance complies (e.g. USP/NF, BP)
The quality standard, established benchmark, to which substance complies (e.g. USP/NF, Ph. Eur, JP, BP, Company Standard).
The quality standard, established benchmark, to which a substance complies
Textual comment about the substance's catalogue or registry record
The entity that creates, makes, produces or fabricates the substance
The entity that creates, makes, produces or fabricates the substance. This is a set of potential manufacturers but is not necessarily comprehensive.
An entity that is the source for the substance. It may be different from the manufacturer
An entity that is the source for the substance. It may be different from the manufacturer. Supplier is synonymous to a distributor.
Unique id for the element within a resource (for internal references). This may be any string value that does not contain spaces.
May be used to represent additional information that is not part of the basic definition of the element. To make the use of extensions safe and managable, there is a strict set of governance applied to the definition and use of extensions. Though any implementer can define an extension, there is a set of requirements that SHALL be met as part of the definition of the extension.
Extensions that cannot be ignored even if unrecognized
May be used to represent additional information that is not part of the basic definition of the element and that modifies the understanding of the element in which it is contained and/or the understanding of the containing element's descendants. Usually modifier elements provide negation or qualification. To make the use of extensions safe and managable, there is a strict set of governance applied to the definition and use of extensions. Though any implementer can define an extension, there is a set of requirements that SHALL be met as part of the definition of the extension. Applications processing a resource are required to check for modifier extensions. Modifier extensions SHALL NOT change the meaning of any elements on Resource or DomainResource (including cannot change the meaning of modifierExtension itself).
Modifier extensions are expected to modify the meaning or interpretation of the element that contains them
Identifier by which this moiety substance is known
The optical rotation type of a substance.
Molecular formula for this moiety (e.g. with the Hill system)
Molecular formula for this moiety of this substance, typically using the Hill system.
The measurement type of the quantitative value
The measurement type of the quantitative value. In capturing the actual relative amounts of substances or molecular fragments it may be necessary to indicate whether the amount refers to, for example, a mole ratio or weight ratio.
The relationship between two substance types.
General specifications for this substance
The method used to find the characterization e.g. HPLC
The method used to elucidate the characterization of the drug substance. Example: HPLC.
The method used to elucidate the characterization of the drug substance.
Describes the nature of the chemical entity and explains, for instance, whether this is a base or a salt form
The description or justification in support of the interpretation of the data file
The data produced by the analytical instrument or a pictorial representation of that data. Examples: a JCAMP, JDX, or ADX file, or a chromatogram or spectrum analysis
This value set includes all observable entity codes from SNOMED CT - provided as an exemplar value set.
Physical Characteristics, attribute's value
General information detailing this substance
The average mass of a molecule of a compound compared to ¹/₁₂ the mass of carbon 12 and calculated as the sum of the atomic weights of the constituent atoms. [Source: Merriam Webster]
The method by which the weight was determined
The method by which the molecular weight was determined.
The method by which the substance weight was measured.
Type of molecular weight e.g. exact, average, weight average
Type of molecular weight such as exact, average (also known as. number average), weight average.
The type of substance weight measurement.
Used to capture quantitative values for a variety of elements
Used to capture quantitative values for a variety of elements. If only limits are given, the arithmetic mean would be the average. If only a single definite value for a given element is given, it would be captured in this field.
Extensions are always sliced by (at least) url
Numerical value (with implicit precision)
The value of the measured amount. The value includes an implicit precision in the presentation of the value.
The implicit precision in the value should always be honored. Monetary values have their own rules for handling precision (refer to standard accounting text books).
Precision is handled implicitly in almost all cases of measurement.
PQ.value, CO.value, MO.value, IVL.high or IVL.low depending on the value
< | <= | >= | > | ad - how to understand the value
How the value should be understood and represented - whether the actual value is greater or less than the stated value due to measurement issues; e.g. if the comparator is "<" , then the real value is < stated value.
Need a framework for handling measures where the value is <5ug/L or >400mg/L due to the limitations of measuring methodology.
If there is no comparator, then there is no modification of the value
This is labeled as "Is Modifier" because the comparator modifies the interpretation of the value significantly. If there is no comparator, then there is no modification of the value
How the Quantity should be understood and represented.
The labeled unit of measure for the molecular weight. [Source: Adapted for NCI EVS C117055]
There are many representations for units of measure and in many contexts, particular representations are fixed and required. I.e. mcg for micrograms.
The identification of the system that provides the coded form of the unit.
Need to know the system that defines the coded form of the unit.
CO.codeSystem, PQ.translation.codeSystem
A computer processable form of the unit in some unit representation system.
The preferred system is UCUM, but SNOMED CT can also be used (for customary units) or ISO 4217 for currency. The context of use may additionally require a code from a particular system.
Need a computable form of the unit that is fixed across all forms. UCUM provides this for quantities, but SNOMED CT provides many units of interest.
PQ.code, MO.currency, PQ.translation.code
Either a file or string structure representation is required
representation.type.coding.where( system = 'http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl' and (code in 'C45253' | 'C103240') ).exists()
Molecular Formula: An expression which states the number and type of atoms present in a molecule of a substance or sequence for biotechnology products. [Source: SME Defined] Biopolymer Sequence: TBD
Specified per moiety according to the Hill system
Specified per moiety according to the Hill system, i.e. first C, then H, then alphabetical, each moiety separated by a dot.
The molecular weight or weight range (for proteins, polymers or nucleic acids).
The technique used to elucidate the structure or characterisation of the drug substance. [Source: SME Defined] Examples: x-ray, HPLC, NMR, peptide mapping, ligand binding assay.
The method used to elucidate the structure of the drug substance.
The source of information about the structure.
Impurity Structure Graphic | Impurity Structure Data File
A depiction of the structure of the substance.
The kind of structural representation (e.g. full, partial)
The structural representation as a text string in a standard format
The format of the representation e.g. InChI, SMILES, MOLFILE (note: not the physical file format)
The format of the representation e.g. InChI, SMILES, MOLFILE, CDX, SDF, PDB, mmCIF. The logical content type rather than the physical file format of a document.
An attachment with the structural representation e.g. a structure graphic or AnIML file
An attached file with the structural representation e.g. a molecular structure graphic of the substance, a JCAMP or AnIML file.
A graphical, displayable depiction of the structure (e.g. an SVG, PNG)
A pictorial representation of the structure of the impurity substance. [Source: SME Defined] Note: Refer to the 'Acceptable File Formats for use in eCTD' Example: This is the representation of the molecule CH3OH, or the sequence SHLVEALALVAGERG.
machine-readable representation -- attached file
Impurity Chemical Structure Data (files, e.g. .SDF, .CIF)
machine-readable representation -- plain text
Impurity Chemical Structure Data (short, plain text representations, e.g. SMILES)
A machine-readable representation of the structure of the chemical. [Source: SME Defined] Examples: SMILES, INCHI
Substance_Code.Code, Substance_Code.Code_System, Substance_Code.Code_System_Id
Status of the code assignment, for example 'provisional', 'approved'
The date at which the code status was changed
The date at which the code status was changed as part of the terminology maintenance.
Any comment can be provided in this field
Any comment can be provided in this field, if necessary.
The UNII is a non-proprietary, free, unique, unambiguous, non-semantic, alphanumeric identifier based on a substance’s molecular structure and/or descriptive information. [Source: http://www.fda.gov/ForIndustry/DataStandards/SubstanceRegistrationSystem-UniqueIngredientIdentifierUNII/] Example: 362O9ITL9D Note: If a UNII does not exist, please go to http://www.fda.gov/ForIndustry/DataStandards/SubstanceRegistrationSystem-UniqueIngredientIdentifierUNII/
A reference to a code defined by a terminology system.
Codes may be defined very casually in enumerations, or code lists, up to very formal definitions such as SNOMED CT - see the HL7 v3 Core Principles for more information. Ordering of codings is undefined and SHALL NOT be used to infer meaning. Generally, at most only one of the coding values will be labeled as UserSelected = true.
Allows for alternative encodings within a code system, and translations to other code systems.
fhir:CodeableConcept.coding rdfs:subPropertyOf dt:CD.coding
The identification of the code system that defines the meaning of the symbol in the code.
The URI may be an OID (urn:oid:...) or a UUID (urn:uuid:...). OIDs and UUIDs SHALL be references to the HL7 OID registry. Otherwise, the URI should come from HL7's list of FHIR defined special URIs or it should be an absolute reference to some definition that establishes the system clearly and unambiguously.
Need to be unambiguous about the source of the definition of the symbol.
fhir:Coding.system rdfs:subPropertyOf dt:CDCoding.codeSystem
The version of the code system which was used when choosing this code. Note that a well-maintained code system does not need the version reported, because the meaning of codes is consistent across versions. However this cannot consistently be assured, and when the meaning is not guaranteed to be consistent, the version SHOULD be exchanged.
Where the terminology does not clearly define what string should be used to identify code system versions, the recommendation is to use the date (expressed in FHIR date format) on which that version was officially published as the version date.
fhir:Coding.version rdfs:subPropertyOf dt:CDCoding.codeSystemVersion
A symbol in syntax defined by the system. The symbol may be a predefined code or an expression in a syntax defined by the coding system (e.g. post-coordination).
Need to refer to a particular code in the system.
fhir:Coding.code rdfs:subPropertyOf dt:CDCoding.code
A representation of the meaning of the code in the system, following the rules of the system.
Need to be able to carry a human-readable meaning of the code for readers that do not know the system.
C*E.2 - but note this is not well followed
fhir:Coding.display rdfs:subPropertyOf dt:CDCoding.displayName
If this coding was chosen directly by the user
Indicates that this coding was chosen by a user directly - e.g. off a pick list of available items (codes or displays).
Amongst a set of alternatives, a directly chosen code is the most appropriate starting point for new translations. There is some ambiguity about what exactly 'directly chosen' implies, and trading partner agreement may be needed to clarify the use of this element and its consequences more completely.
This has been identified as a clinical safety criterium - that this exact system/code pair was chosen explicitly, rather than inferred by the system based on some rules or language processing.
fhir:Coding.userSelected fhir:mapsTo dt:CDCoding.codingRationale. fhir:Coding.userSelected fhir:hasMap fhir:Coding.userSelected.map. fhir:Coding.userSelected.map a fhir:Map; fhir:target dt:CDCoding.codingRationale. fhir:Coding.userSelected\#true a [ fhir:source "true"; fhir:target dt:CDCoding.codingRationale\#O ]
Plain text representation of the concept
A human language representation of the concept as seen/selected/uttered by the user who entered the data and/or which represents the intended meaning of the user.
Very often the text is the same as a displayName of one of the codings.
The codes from the terminologies do not always capture the correct meaning with all the nuances of the human using them, or sometimes there is no appropriate code at all. In these cases, the text is used to capture the full meaning of the source.
C*E.9. But note many systems use C*E.2 for this
fhir:CodeableConcept.text rdfs:subPropertyOf dt:CD.originalText
The UniProt ID is an index to the UniProt knowledgebase, a large resource of protein sequences and associated detailed annotation. It is accessible at https://www.uniprot.org/
Substance Name is identified by its Substance Type. Substance Type: Identifies the source that assigned the product ingredient name. [Source: SME Defined] Examples: GSRS Preferred Term, Systematic Name, INN, USP/NF
Name type e.g. 'systematic', 'scientific, 'brand'
Name type, for example 'systematic', 'scientific, 'brand'.
The status of the name e.g. 'current', 'proposed'
The status of the name, for example 'current', 'proposed'.
True when the name type is Substance Name
If this is the preferred name for this substance.
If this value is not present, there is no statement being made about whether this is the preferred name or not. No inference can be made
Human language that the name is written in
The use context of this name e.g. as an active ingredient or as a food colour additive
The use context of this name for example if there is a different name a drug active ingredient as opposed to a food colour additive.
The use context of a substance name for example if there is a different name when used as a drug active ingredient as opposed to a food colour additive.
The jurisdiction where this name applies
A synonym of this particular name, by which the substance is also known
A translation for this name into another human language
Details of the official nature of this name
Which authority uses this official name.
An authority that officates substance names.
The status of the official name, for example 'draft', 'active'
The status of the official name, for example 'draft', 'active', 'retired'.
A name derived directly from the chemical structure. [Source: SME Defined]
A non-branded nor registered name that meant for common use.
The part of the name or logo associated with a specific product or service identifying and distinguishing it from varieties of the same product or service marketed by competing companies.
Default display name identified within FDA Global Substance Registration System (GSRS).
A unique nonproprietary name assigned to drugs and biologics and assigned by the United States Pharmacopeia (USP) and excipients by the National Formulary (NF). [Source: SME Defined]
Chemical Abstract Service (CAS) Registry Numbers (often referred to as CAS RNs or CAS Numbers) are used to provide identifiers for chemical substances. A CAS Registry Number itself has no inherent chemical significance but provides a way to identify a chemical substance or molecular structure when there are many possible systematic, generic, proprietary or trivial names. [Source: Adapted from CAS.org] Example: CAS [103-90-2]
International Nonproprietary Names (INN) is a unique name that is globally recognized and is public property. A nonproprietary name is also known as a generic name. Note: International Nonproprietary Names (INN) facilitate the identification of pharmaceutical substances or active pharmaceutical ingredients [Source: http://www.who.int/medicines/services/inn/en/] Example: Paracetamol
A unique nonproprietary name assigned to drugs and biologics and assigned by the United States Adopted Names Council [Source: SME Defined] Example: acetaminophen
A name assigned to a chemical substance according to the systematic nomenclature rules defined by the International Union of Pure and Applied Chemistry (IUPAC) [Source: SME Defined] Example: N- (4-hydroxyphenyl)acetamide
It is the global standard for the terminology, identification, coding and labeling of medical products of human origin (including blood, cell, tissue, milk, and organ products). [Source: https://www.iccbba.org/]
An internal identifier assigned by the sponsor to this drug substance. [Source: SME Defined]
A link between this substance and another
A link between this substance and another, with details of the relationship.
The substance definition of a polyphorm of the Drug Substance
A pointer to another substance, as a resource or just a representational code.
For example "salt to parent", "active moiety", "starting material", "polymorph", "impurity of".
For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible relationships
For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible substance relationships.
If this value is not present, there is no statement being made about whether this is a defining relationship or not. No inference can be made
A numeric factor for the relationship, e.g. that a substance salt has some percentage of active substance in relation to some other
A numeric factor for the relationship, for instance to express that the salt of a substance has some percentage of the active substance in relation to some other.
For use when the numeric has an uncertain range
An operator for the amount, for example "average", "approximately", "less than"
(used to add specifics of Nucleic Acids to Substances)
(used to add specifics of Polymers to Substances)
(used to add specifics of Proteins to Substances)
Material or taxonomic/anatomical source for the substance.
Classification of the origin of the raw material. e.g. cat hair is an Animal source type
A classification that provides the origin of the raw material. Example: cat hair would be an Animal source type.
A classification that provides the origin of the substance raw material.
The genus of an organism e.g. the Latin epithet of the plant/animal scientific name
The genus of an organism, typically referring to the Latin epithet of the genus element of the plant/animal scientific name.
The species of an organism e.g. the Latin epithet of the species of the plant/animal
The species of an organism, typically referring to the Latin epithet of the species of the plant/animal.
A species of origin a substance raw material.
An anatomical origin of the source material within an organism
The country or countries where the material is harvested