Pharmaceutical Quality - Chemistry, Manufacturing and Controls (PQ-CMC) Submissions to FDA
2.0.0 - STU2

Pharmaceutical Quality - Chemistry, Manufacturing and Controls (PQ-CMC) Submissions to FDA, published by HL7 International / Biomedical Research and Regulation. This guide is not an authorized publication; it is the continuous build for version 2.0.0 built by the FHIR (HL7® FHIR® Standard) CI Build. This version is based on the current content of https://github.com/HL7/FHIR-us-pq-cmc-fda/ and changes regularly. See the Directory of published versions

## Example Bundle: 3.2.P.5.5 Bundle 2

Document Details

Profile: CMC eCTD 32P55 Document

Final Document at 2024-07-16 10:15:00+0000 by Bundle: identifier = UUID:a7a2d35b-5d9d-4a8c-b012-d04a07662c0a; type = document; timestamp = 2024-07-16 10:15:00+0000 for

Document Content

## Substance Impurities for AmphetamineSalt_1

## Additional Resources Included in Document

Entry 2 - fullUrl = urn:uuid:6248d2ea-c9e0-4280-9beb-08b7041071c2

Resource MedicinalProductDefinition:

> 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

Entry 3 - fullUrl = urn:uuid:f22ab70c-20c0-4ee4-848b-622b67ec8592

Resource Organization:

> Profile: Basic Organization

> identifier: DUNS/143265222

> name: WunderChem GmbH

> ### Contacts

> - | Address
> * | 123 Deutsche Strasse, Munich, Bavaria, 81541, Germany

Entry 4 - fullUrl = urn:uuid:ac7ac2da-df69-4ed9-b399-4dc40a71b332

Resource SubstanceDefinition:

> 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

Entry 5 - fullUrl = urn:uuid:de75e338-626c-4503-a25d-4fcdd8e39bee

Resource DocumentReference:

> 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

Entry 6 - fullUrl = urn:uuid:7f7c63b0-8ad8-4529-b000-bf4b6c384558

Resource SubstanceDefinition:

> 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 | `` | 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

Entry 7 - fullUrl = urn:uuid:8202d18a-df68-4cbd-912d-59c7cff5cfa6

Resource SubstanceDefinition:

> 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