CharacterisationImpuritiesBundle
type: Bundle
node role: treeRoot
id:
  v: CharacterisationImpuritiesBundle
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-ectd-document-32p55
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-ectd-document-32p55
identifier:
  system:
    v: urn:ietf:rfc:3986
type:
  v: document
timestamp:
  v: 2024-07-16T10:15:00.000Z

urn:…
type: Composition
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/ectd-composition-32p55
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/ectd-composition-32p55
text:
  status:
    v: generated
  div: Generated Narrative: Composition 45ec3ebc-ec1a-4b4d-bfc4-c50edc67f2ce Profile: eCTD Product Characterisation of Impurities status: Final type: m3.2.p.5.5 characterisation of impurities date: 2024-07-16 10:15:00+0000 author: Bundle: identifier = UUID:a7a2d35b-5d9d-4a8c-b012-d04a07662c0a; type = document; timestamp = 2024-07-16 10:15:00+0000 title: Product Characterisation of Impurities
status:
  v: final
type:
  coding:
    system:
      v: http://terminology.hl7.org/CodeSystem/ICHContextOfUse
    code:
      v: ich_3.2.p.5.5
    display:
      v: m3.2.p.5.5 characterisation of impurities
date:
  v: 2024-07-16T10:15:00.000Z
title:
  v: Product Characterisation of Impurities
section:
  title:
    v: Substance Impurities for AmphetamineSalt_1
  code:
    coding:
      system:
        v: http://terminology.hl7.org/CodeSystem/ICHContextOfUse
      code:
        v: ich_3.2.p.5.5
      display:
        v: m3.2.p.5.5 characterisation of impurities

urn:…
type: MedicinalProductDefinition
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-with-impurities
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-with-impurities
text:
  status:
    v: generated
  div: Generated Narrative: MedicinalProductDefinition 6248d2ea-c9e0-4280-9beb-08b7041071c2 Profile: Drug Product Impurities identifier: AmphetamineSalt_1 description: An uncoated tablet containing amphetamine sulfate combinedPharmaceuticalDoseForm: TABLET route: ORAL Impurities - Reference * Bundle: identifier = UUID:a7a2d35b-5d9d-4a8c-b012-d04a07662c0a; type = document; timestamp = 2024-07-16 10:15:00+0000 * Bundle: identifier = UUID:a7a2d35b-5d9d-4a8c-b012-d04a07662c0a; type = document; timestamp = 2024-07-16 10:15:00+0000 * Bundle: identifier = UUID:a7a2d35b-5d9d-4a8c-b012-d04a07662c0a; type = document; timestamp = 2024-07-16 10:15:00+0000 name productName: AMPHETAMINE SULFATE 10mg, DEXTROAMPHETAMINE SULFATE 10mg type: Nonproprietary Name part part: AMPHETAMINE SULFATE type: scientific name part part: 10mg type: AMPHETAMINE SULFATE part part: DEXTROAMPHETAMINE SULFATE type: scientific name part part: 10mg type: DEXTROAMPHETAMINE SULFATE
identifier:
  value:
    v: AmphetamineSalt_1
description:
  v: An uncoated tablet containing amphetamine sulfate
combined pharmaceutical dose form:
  coding:
    system:
      v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
    code:
      v: C42998
    display:
      v: TABLET
route:
  coding:
    system:
      v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
    code:
      v: C38288
    display:
      v: ORAL
name:
  product name:
    v: AMPHETAMINE SULFATE 10mg, DEXTROAMPHETAMINE SULFATE 10mg
  type:
    coding:
      system:
        v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
      code:
        v: C96971
      display:
        v: Nonproprietary Name
  part:
    part:
      v: AMPHETAMINE SULFATE
  part:
    part:
      v: 10mg
    type:
      text:
        v: AMPHETAMINE SULFATE
  part:
    part:
      v: DEXTROAMPHETAMINE SULFATE
  part:
    part:
      v: 10mg
    type:
      text:
        v: DEXTROAMPHETAMINE SULFATE

urn:…
type: Organization
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-organization
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-organization
text:
  status:
    v: generated
  div: Generated Narrative: Organization f22ab70c-20c0-4ee4-848b-622b67ec8592 Profile: Basic Organization identifier: DUNS/143265222 name: WunderChem GmbH Contacts - Address * 123 Deutsche Strasse, Munich, Bavaria, 81541, Germany
identifier:
  type:
    coding:
      system:
        v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
      code:
        v: C134003
      display:
        v: DUNS
  system:
    v: urn:oid:1.3.6.1.4.1.519.1
  value:
    v: 143265222
name:
  v: WunderChem GmbH
contact:
  address:
    type:
      v: postal
    text:
      v: 123 Deutsche Strasse, Munich, Bavaria, 81541, Germany
    line:
      v: Deutsche Strasse 123
    line:
      v: Building 2
    city:
      v: Munich
    state:
      v: Bavaria
    postal code:
      v: 81541
    country:
      v: GER

urn:…
type: SubstanceDefinition
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-substance-impurity
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-substance-impurity
text:
  status:
    v: generated
  div: Generated Narrative: SubstanceDefinition ac7ac2da-df69-4ed9-b399-4dc40a71b332 Profile: Drug Substance Impurity identifier: PhenylAcetone classification: Process Related/Process characterization technique: IR Spectroscopy Files - ContentType Data Title * application/x-jcamp-dx (base64 data - 5,896 base64 chars) PhenylAcetone-IR.jdx characterization technique: Proton NMR and Carbon NMR description: A phenylacetone sample was analyzed using HNMR and CNMR spectroscopy. The assignments of the protons and carbons are detailed in the tables below. Table 1: HNMR Assignments for Phenylacetone Hydrogen No. Delta (ppm) Multiplicity No. of Protons Coupling (Hz) H1 7.251 tt 1 7.71, 1.53 H2,H3 7.305 tdd 2 7.74 1.82 0.55 H4,H5 7.11 dddd 2 7.77 1.53 1.20 0.55 H6,H7 3.589 s 2 -- H8,H9,H10 2.145 s 3 -- Table 2 : CNMR Assignments for Phenylacetone Carbon No. Delta (ppm) C1 128.10 C2,C6 128.60 C3,C5 128.40 C4 133.70 C7 50.24 C8 205.55 C9 29.9 Files - ContentType Data Title * application/x-jcamp-dx (base64 data - 16,200 base64 chars) PhenylAecetone-HNMR.jdx * image/svg+xml (base64 data - 199,128 base64 chars) PhenylAcetone-HNMR.svg * application/x-jcamp-dx (base64 data - 1,760 base64 chars) PhenylAcetone-CNMR.jdx * image/png (base64 data - 69,124 base64 chars) PhenylAcetone-CNMR.png structure technique: HNMR, IR Spectroscopy representation type: String representation: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 format: InChI File (small molecule) representation type: String representation: CC(=O)CC1=CC=CC=C1 format: SMILES representation type: CHEMICAL STRUCTURE format: SDF document: Bundle: identifier = UUID:a7a2d35b-5d9d-4a8c-b012-d04a07662c0a; type = document; timestamp = 2024-07-16 10:15:00+0000 Codes - Code * O7IZH10V9Y Names - Name Type Preferred * PHENYL ACETONE GSRS Preferred Term true
identifier:
  value:
    v: PhenylAcetone
classification:
  coding:
    system:
      v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
    code:
      v: C176812
    display:
      v: Process Related/Process
characterization:
  technique:
    text:
      v: IR Spectroscopy
  file:
    content type:
      v: application/x-jcamp-dx
    title:
      v: PhenylAcetone-IR.jdx
characterization:
  technique:
    text:
      v: Proton NMR and Carbon NMR
  description:
    v: A phenylacetone sample was analyzed using HNMR and CNMR spectroscopy. The assignments of the protons and carbons are detailed in the tables below. Table 1: HNMR Assignments for Phenylacetone | Hydrogen No. | Delta (ppm) | Multiplicity | No. of Protons | Coupling (Hz) | |:------------:| -----------:|:------------:|:--------------:|:-------------------:| | H1 | 7.251 | tt | 1 | 7.71, 1.53 | | H2,H3 | 7.305 | tdd | 2 | 7.74 1.82 0.55 | | H4,H5 | 7.11 | dddd | 2 | 7.77 1.53 1.20 0.55 | | H6,H7 | 3.589 | s | 2 | -- | | H8,H9,H10 | 2.145 | s | 3 | -- | Table 2 : CNMR Assignments for Phenylacetone | Carbon No. | Delta (ppm) | | :--------: | ----------: | | C1 | 128.10 | | C2,C6 | 128.60 | | C3,C5 | 128.40 | | C4 | 133.70 | | C7 | 50.24 | | C8 | 205.55 | | C9 | 29.9 |
  file:
    content type:
      v: application/x-jcamp-dx
    title:
      v: PhenylAecetone-HNMR.jdx
  file:
    content type:
      v: image/svg+xml
    title:
      v: PhenylAcetone-HNMR.svg
  file:
    content type:
      v: application/x-jcamp-dx
    title:
      v: PhenylAcetone-CNMR.jdx
  file:
    content type:
      v: image/png
    title:
      v: PhenylAcetone-CNMR.png
structure:
  technique:
    text:
      v: HNMR
  technique:
    text:
      v: IR Spectroscopy
  representation:
    representation:
      v: InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
  representation:
    representation:
      v: CC(=O)CC1=CC=CC=C1
code:
  code:
    coding:
      system:
        v: http://fdasis.nlm.nih.gov
      code:
        v: O7IZH10V9Y
name:
  name:
    v: PHENYL ACETONE
  type:
    coding:
      system:
        v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
      code:
        v: C203355
      display:
        v: GSRS Preferred Term
  preferred:
    v: true

urn:…
type: DocumentReference
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-structure-reference
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-structure-reference
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-document-reference
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/cmc-document-reference
text:
  status:
    v: generated
  div: Generated Narrative: DocumentReference de75e338-626c-4503-a25d-4fcdd8e39bee Profiles: Structure Data Reference, Document Reference Attachment status: Current content Attachments - ContentType Data Title * application/x-mdl-sdfile (base64 data - 2,556 base64 chars) phenylAcetone.sdf
status:
  v: current
content:
  attachment:
    content type:
      v: application/x-mdl-sdfile
    title:
      v: phenylAcetone.sdf

urn:…
type: SubstanceDefinition
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-substance-impurity
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-substance-impurity
text:
  status:
    v: generated
  div: Generated Narrative: SubstanceDefinition 7f7c63b0-8ad8-4529-b000-bf4b6c384558 Profile: Drug Substance Impurity identifier: MethylAmine classification: Process Related/Process characterization technique: IR Spectroscopy description: Table 1: IR spectrum assignments Wavenumber (cm^-1) Intensity Assignment 2930 s C-H 1615 w N-H 1060 w C-N Files - ContentType Data Title * application/x-jcamp-dx (base64 data - 6,488 base64 chars) methylamine-IR.jdx characterization technique: NMR Spectroscopy description: Methylamine was analyzed using proton NMR and Carbon NMR. Assignment data is included in subsequent tables Table 1: HNMR assignments for Methylamine Hydrogen No. Delta (ppm) Multiplicity No. of Protons Coupling (Hz) H1,H2,H3 2.231 s 3 -- Table 2: CNMR assignments for Methylamine Carbon No. Delta (ppm) C1 28.3 Files - ContentType Data Title * application/x-jcamp-dx (base64 data - 1,336 base64 chars) methylamine-HNMR.jdx * application/x-jcamp-dx [binary] methylamine-CNMR.jdx * image/png (base64 data - 44,416 base64 chars) methylamine-CNMR.png * image/png (base64 data - 47,692 base64 chars) methylamine-HNMR.png structure technique: Carbon NMR representation type: String representation: InChI=1S/CH5N/c1-2/h2H2,1H3 format: InChI File (small molecule) representation type: String representation: CN format: SMILES Codes - Code * BSF23SJ79E Names - Name Type Preferred * METHYLAMINE GSRS Preferred Term true
identifier:
  value:
    v: MethylAmine
classification:
  coding:
    system:
      v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
    code:
      v: C176812
    display:
      v: Process Related/Process
characterization:
  technique:
    text:
      v: IR Spectroscopy
  description:
    v: Table 1: IR spectrum assignments |Wavenumber (cm^-1)|Intensity|Assignment | |:----------------:|:-------:|:---------:| | 2930 | s | C-H | | 1615 | w | N-H | | 1060 | w | C-N |
  file:
    content type:
      v: application/x-jcamp-dx
    title:
      v: methylamine-IR.jdx
characterization:
  technique:
    text:
      v: NMR Spectroscopy
  description:
    v: Methylamine was analyzed using proton NMR and Carbon NMR. Assignment data is included in subsequent tables Table 1: HNMR assignments for Methylamine | Hydrogen No. | Delta (ppm) | Multiplicity | No. of Protons | Coupling (Hz) | | :----------: | ----------: | :----------: | :------------: | :-----------: | | H1,H2,H3 | 2.231 | s | 3 | -- | Table 2: CNMR assignments for Methylamine | Carbon No. | Delta (ppm) | | :--------: | ----------: | | C1 | 28.3 |
  file:
    content type:
      v: application/x-jcamp-dx
    title:
      v: methylamine-HNMR.jdx
  file:
    content type:
      v: application/x-jcamp-dx
    title:
      v: methylamine-CNMR.jdx
  file:
    content type:
      v: image/png
    title:
      v: methylamine-CNMR.png
  file:
    content type:
      v: image/png
    title:
      v: methylamine-HNMR.png
structure:
  technique:
    text:
      v: Carbon NMR
  representation:
    representation:
      v: InChI=1S/CH5N/c1-2/h2H2,1H3
  representation:
    representation:
      v: CN
code:
  code:
    coding:
      system:
        v: http://fdasis.nlm.nih.gov
      code:
        v: BSF23SJ79E
name:
  name:
    v: METHYLAMINE
  type:
    coding:
      system:
        v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
      code:
        v: C203355
      display:
        v: GSRS Preferred Term
  preferred:
    v: true

urn:…
type: SubstanceDefinition
meta:
  profile:
    v: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-substance-impurity
    link: http://hl7.org/fhir/us/pq-cmc-fda/StructureDefinition/pqcmc-drug-product-substance-impurity
text:
  status:
    v: generated
  div: Generated Narrative: SubstanceDefinition 8202d18a-df68-4cbd-912d-59c7cff5cfa6 Profile: Drug Substance Impurity identifier: ironImpurity classification: Elemental Impurities structure technique: UV Spectroscopy Representations - Type Representation Format * String [Fe] SMILES Codes - Code * E1UOL152H7 Names - Name Type Preferred * IRON GSRS Preferred Term true
identifier:
  value:
    v: ironImpurity
classification:
  coding:
    system:
      v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
    code:
      v: C185190
    display:
      v: Elemental Impurities
structure:
  technique:
    text:
      v: UV Spectroscopy
  representation:
    representation:
      v: [Fe]
code:
  code:
    coding:
      system:
        v: http://fdasis.nlm.nih.gov
      code:
        v: E1UOL152H7
name:
  name:
    v: IRON
  type:
    coding:
      system:
        v: http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl
      code:
        v: C203355
      display:
        v: GSRS Preferred Term
  preferred:
    v: true

v: SCI

v: STR

v: SCI

v: STR

v: C45253

v: C54683

v: InChI File (small molecule)

v: C45253

v: C54684

v: SMILES

v: C103240

v: C133996

v: SDF

v: C45253

v: C54683

v: InChI File (small molecule)

v: C45253

v: C54684

v: SMILES

v: C45253

v: C54684

v: SMILES