ISO/TS 19844:2016

TECHNICAL ISO/TS
SPECIFICATION 19844
Second edition
2016-12-15
Health informatics — Identification
of medicinal products —
Implementation guidelines for data
elements and structures for the
unique identification and exchange of
regulated information on substances
Informatique de santé — Identification des médicaments — Lignes
directrices pour la mise en oeuvre des éléments de données et
structures pour l’identification unique et l’échange d’informations
réglementées sur les substances
Reference number
©
ISO 2016
© ISO 2016, Published in Switzerland
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ii © ISO 2016 – All rights reserved

Contents
1 Scope .1
2 Normative references .2
3 General background and history .2
4 Substance (Mandatory) .3
4.1 General .3
4.2 Defining substances .5
4.2.1 Substance type (Mandatory) .7
4.2.2 Substance ID (Mandatory) . 10
4.3 Substance names (Mandatory) . 11
4.3.1 Substance name . 12
4.3.2 Substance name type . 13
4.3.3 Language . 14
4.3.4 Official name (Conditional. 14
4.4 Reference source (Conditional) . 17
4.4.1 Public domain . 17
4.4.2 Reference source type . 18
4.4.3 Reference source class . 18
4.4.4 Reference source ID . 19
4.4.5 Reference source citation . 19
4.5 Reference source document (Conditional) . 19
4.5.1 Public domain . 19
4.5.2 Reference source document . 20
4.5.3 Reference source document type . 20
4.5.4 Reference source document ID . 21
4.5.5 Reference source document classification . 21
4.5.6 Reference source document URL . 21
4.6 Substance code (Conditional) . 21
4.6.1 Code . 22
4.6.2 Code system . 22
4.6.3 Code system ID . 23
4.6.4 Code system status . 23
4.6.5 Code change date . 24
4.6.6 Comment . 24
4.6.7 Reference source . 24
4.7 Reference information (Conditional) . 24
4.7.1 Comment . 25
4.7.2 Substance classification (Conditional). 25
4.7.3 Substance relationship (Conditional) . 28
4.7.4 Target (Conditional) . 30
4.7.5 Gene (Conditional) . 33
4.7.6 Gene element (Conditional) . 35
4.8 Structure . 36
4.8.1 Structural Representation (Conditional) . 36
4.8.2 Stereochemistry . 42
4.8.3 Optical activity . 43
iii
4.8.4 Molecular Formula . 44
4.8.5 Molecular Formula by Moiety . 44
4.8.6 Molecular weight (Mandatory) . 44
4.8.7 Isotope (Conditional) . 44
4.9 Amount (Conditional) . 46
4.9.1 Average . 46
4.9.2 Low limit . 47
4.9.3 High limit . 47
4.9.4 Unit . 47
4.9.5 Non-numeric Value . 48
4.9.6 Reference Source (Conditional) . 48
4.9.7 Reference source document (Conditional) . 48
4.10 Source material (Conditional) . 48
4.10.1 Source material class . 49
4.10.2 Source material type . 50
4.10.3 Source material state . 50
4.10.4 Organism ID. 50
4.10.5 Organism name . 51
4.10.6 Parent substance ID . 51
4.10.7 Parent substance name . 51
4.10.8 Development stage . 52
4.10.9 Part Description (CONDITIONAL) . 52
4.10.10 Fraction (Conditional) . 54
4.10.11 Organism (Conditional) . 57
4.11 Modification (Conditional) . 64
4.11.1 Modification type . 66
4.11.2 Residue modified . 66
4.11.3 Residue sites . 66
4.11.4 Structural modification (Conditional) . 67
4.11.5 Agent modification (Conditional) . 69
4.11.6 Physical Modification (Conditional) . 70
4.12 Property (Conditional) . 72
4.12.1 Property type . 72
4.12.2 Property name . 73
4.12.3 Property parameters . 73
4.12.4 Substance ID . 73
4.12.5 Substance name . 74
4.12.6 Amount type (Mandatory) . 74
4.13 Version (Mandatory) . 74
4.13.1 Version number . 74
4.13.2 Effective date . 75
4.13.3 Change made . 75
5 Substance definitions . 75
5.1 Chemical substance . 75
5.1.1 Comment . 76
5.1.2 Structure . 77
5.1.3 Stoichiometric/Non-stoichiometric chemicals . 77
5.1.4 Stoichiometric chemicals . 78
5.1.5 Non-stoichiometric chemicals (Conditional) . 81
5.1.6 Substance Name (Mandatory) . 83
5.1.7 Substance Code (Conditional). 83
5.1.8 Version (Mandatory) . 83
iv
5.1.9 Reference information . 83
5.1.10 Reference source (Conditional) . 83
5.1.11 Reference source document (Conditional) . 83
5.2 Proteins/peptides . 83
5.2.1 Microheterogeneity . 84
5.2.2 Sequence type . 86
5.2.3 Number of subunits. 86
5.2.4 Disulfide linkage . 86
5.2.5 Comment . 87
5.2.6 Protein subunit (Mandatory) . 87
5.2.7 Molecular weight (Conditional) . 90
5.2.8 Glycosylation (Conditional) . 91
5.2.9 Property (Conditional) . 92
5.2.10 Structure (Mandatory) . 93
5.2.11 Substance name (Mandatory) . 93
5.2.12 Modification (Conditional) . 93
5.2.13 Substance code (Conditional) . 93
5.2.14 Source material (Conditional) . 93
5.2.15 Version (Mandatory) . 93
5.2.16 Reference information (Conditional) . 93
5.2.17 Reference source (Conditional) . 93
5.2.18 Reference source document (Conditional) . 93
5.3 Nucleic acids . 93
5.3.1 Structure (Conditional) . 94
5.3.2 Sequence type . 95
5.3.3 Number of subunits. 95
5.3.4 Area of hybridisation. 96
5.3.5 Comment . 96
5.3.6 Nucleic acid subunit (Mandatory) . 96
5.3.7 Modification (Conditional) . 100
5.3.8 Property (Conditional) . 100
5.3.9 Molecular weight (Conditional) . 101
5.3.10 Substance Name (Mandatory) . 101
5.3.11 Substance Code (Conditional) . 101
5.3.12 Version (Mandatory) . 101
5.3.13 Reference information (Conditional) . 101
5.3.14 Reference source (Conditional) . 101
5.3.15 Reference source document (Conditional) . 101
5.4 Polymers . 101
5.4.1 Polymer class . 103
5.4.2 Polymer geometry . 103
5.4.3 Copolymer sequence type . 103
5.4.4 Comment . 103
5.4.5 Substance name (Mandatory) . 103
5.4.6 Structure (Mandatory) . 104
5.4.7 Monomer description (Conditional) . 104
5.4.8 Structural repeat (Conditional) . 105
5.4.9 Molecular weight (Mandatory) . 108
5.4.10 Property (Conditional) . 108
5.4.11 Substance code (Conditional) . 108
5.4.12 Version (Mandatory) . 108
5.4.13 Reference information (Conditional) . 108
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5.4.14 Modification (Conditional) . 108
5.4.15 Source material (Conditional) . 109
5.4.16 Reference source (Conditional) . 109
5.4.17 Reference source document (Conditional) . 109
5.5 Structurally diverse substances. 109
5.5.1 Comment . 110
5.5.2 Substance name (Mandatory) . 110
5.5.3 Structure (Mandatory) . 110
5.5.4 Property (Conditional) . 110
5.5.5 Molecular weight . 111
5.5.6 Glycosylation (Conditional) . 111
5.5.7 Modification (Conditional) . 111
5.5.8 Source material (Conditional) . 111
5.5.9 Substance code (Conditional) . 111
5.5.10 Reference information (Conditional) . 111
5.5.11 Version (Mandatory) . 111
5.5.12 Reference source (Conditional) . 111
5.5.13 Reference source document (Conditional) . 111
5.5.14 Herbals and substances used in the preparation of plant-based allergenic extracts . 111
5.5.15 Vaccines . 114
5.5.16 Plasma-derived substance for human blood products and polyclonal antibodies . 114
5.5.17 Allergens. 114
5.5.18 Advance Therapies and Advanced Vaccines (Genes, Modified Viruses, Cells and
Tissues as Substances) . 115
5.5.19 Minerals . 115
5.6 Mixture substance . 116
5.6.1 Mixture type . 116
5.6.2 Mixture constituent (Mandatory) . 116
5.6.3 Modification (Conditional) . 117
5.6.4 Source material (Conditional) . 117
5.6.5 Substance name (Mandatory) . 117
5.6.6 Substance code (Conditional) . 117
5.6.7 Reference information (Conditional) . 118
5.6.8 Version (Mandatory) . 118
6 Specified substance (Optional) . 118
6.1 Specified Substance Group 1 (repeat as necessary) . 118
6.1.1 Specified substance Group 1 ID . 119
6.1.2 Specified substance Group1 Name . 120
6.1.3 Substance Name (Mandatory) . 120
6.1.4 Substance Code (Conditional). 120
6.1.5 Version (Mandatory) . 120
6.1.6 Reference source (Conditional) . 120
6.1.7 Reference source document (Conditional) . 120
6.1.8 Property (Conditional) . 120
6.1.9 Fraction (Conditional) . 121
6.1.10 Modification (Conditional) . 125
6.1.11 Reference Information (Conditional) . 125
6.1.12 Constituent (Mandatory) . 125

6.1.13 Physical form (Conditional) . 127
6.1.14 Specified substance particulars . 128
6.2 Specified substance Group 2 . 133
6.2.1 Specified Substance Group2 ID . 135
vi
6.2.2 Specified Substance Group2 Name . 136
6.2.3 Parent Substance ID . 136
6.2.4 Reference source (Conditional) . 136
6.2.5 Reference source document (Conditional) . 136
6.2.6 Manufacturing (Mandatory) . 136
6.3 Specified Substance Group 2 for Herbal preparations . 142
6.3.1 Specified Substance Group2 ID . 142
6.3.2 Specified substance Group2 Name . 142
6.3.3 Parent Substance ID . 142
6.3.4 Manufacturing . 143
6.3.5 Version. 144
6.4 Specified Substance Group 3 . 144
6.4.1 Specified Substance Group 3 ID . 145
6.4.2 Specified Substance Group3 Name . 145
6.4.3 Parent Substance ID . 145
6.4.4 Grade (Mandatory). 145
6.4.5 Version (Mandatory) . 146
6.4.6 Reference source (Conditional) . 146
6.4.7 Reference source document (Conditional) . 147
6.4.8 Substance name (Mandatory) . 147
6.4.9 Substance code (Conditional) . 147
6.4.10 Version (Mandatory) . 147
7 Description of the information modelling principles and practices . 147
Annex A (normative) Choosing a Substance ID . 148
Annex B (normative) Chemical substance . 150
Annex C (normative) Protein substance . 270
Annex D (normative) Nucleic acid substance . 329
Annex E (normative) Structurally Diverse Substance – Herbal Substance/Herbal Specified
Substance . 348
Annex F (normative) Structurally Diverse Substance, Homeopathic substance . 466
Annex G (normative) Structurally Diverse Substance – Plasma-derived substances . 509
Annex H (normative) Polymer Substance . 581
vii
Foreword
ISO (the International Organization for Standardization) is a worldwide federation of national
standards bodies (ISO member bodies). The work of preparing International Standards is normally
carried out through ISO technical committees. Each member body interested in a subject for which a
technical committee has been established has the right to be represented on that committee.
International organizations, governmental and non-governmental, in liaison with ISO, also take part in
the work. ISO collaborates closely with the International Electrotechnical Commission (IEC) on all
matters of electrotechnical standardization.
The procedures used to develop this document and those intended for its further maintenance are
described in the ISO/IEC Directives, Part 1. In particular, the different approval criteria needed for the
different types of ISO documents should be noted. This document was drafted in accordance with the
editorial rules of the ISO/IEC Directives, Part 2 (see www.iso.org/directives).
Attention is drawn to the possibility that some of the elements of this document may be the subject of
patent rights. ISO shall not be held responsible for identifying any or all such patent rights. Details of
any patent rights identified during the development of the document will be in the Introduction and/or
on the ISO list of patent declarations received (see www.iso.org/patents).
Any trade name used in this document is information given for the convenience of users and does not
constitute an endorsement.
For an explanation on the meaning of ISO specific terms and expressions related to conformity
assessment, as well as information about ISO's adherence to the WTO principles in the Technical
Barriers to Trade (TBT) see the following URL: Foreword - Supplementary information
The committee responsible for this document is ISO/TC 215, Health informatics.
This second edition cancels and replaces the first edition (ISO/TS 19844:2015), which has been
technically revised.
viii
Introduction
This document provides guidelines for implementing ISO 11238. This document is developed in
response to a worldwide demand for guidance on the implementation of internationally harmonised
specifications for medicinal products. It is one of a group of four implementation guides for a total of
five ISO standards which together provide the basis for the unique identification of medicinal products.
The other standards in this group are:
- ISO 11615, Health informatics — Identification of medicinal products — Data elements and
structures for the unique identification and exchange of regulated medicinal product information
- ISO 11616, Health informatics — Identification of medicinal products — Data elements and
structures for the unique identification and exchange of regulated pharmaceutical product
information
- ISO 11239, Health informatics — Identification of medicinal products — Data elements and
structures for the unique identification and exchange of regulated information on pharmaceutical
dose forms, units of presentation, routes of administration and packaging
- ISO 11240, Health informatics — Identification of medicinal products — Data elements and
structures for the unique identification and exchange of units of measurement
The standards for the Identification of Medicinal Products (IDMP) support the activities of medicines
regulatory agencies worldwide by jurisdiction. These include a variety of regulatory activities related to
development, registration and life cycle management of medicinal products as well as
pharmacovigilance and risk management.
The business objective of this implementation guide is to provide a means for exchanging regulatory
substance information. To meet the primary objectives of the regulation of medicines and
pharmacovigilance, it is necessary to exchange medicinal product information in a robust and reliable
manner.
For the purposes of this document, all conditions (e.g. mandatory, conditional, optional) correspond to
the necessary requirements to uniquely and unambiguously identify a substance. Implementation of the
ISO IDMP standards may dictate that mandatory elements for identification be tagged as conditional or
optional, based on regional requirements. If a subclause is identified as ‘optional’ but is implemented in
a specific region, conformance described within that subclause is applicable. The scope of this
document is to identify the scientifically necessary elements for the unique identification of
Substances/Specified Substances.
ix
TECHNICAL SPECIFICATION
ISO/TS 19844 :2016
Health informatics — Identification of medicinal products —
Implementation guidelines for data elements and structures for
the unique identification and exchange of regulated information
on substances
1 Scope
This document is used in the implementation of ISO 11238. This document defines substances based on
their scientific identity (i.e. what they are) rather than on their use or method of production.
ISO 11238 provides the conceptual framework for defining Substances and Specified Substances and for
assigning unique identifiers in the context of the ISO IDMP standards. ISO 11238 describes general
concepts for defining and distinguishing substances and a high level model for the structuring of
information for substances. This document provides detailed explanations of each type or grouping of
substance information, an element-by-element description for implementation of ISO 11238, and
examples for a variety of Substances and Specified Substances.
This second edition of the document addresses substances, Groups 1 to 3 of the Specified Substances as
defined in ISO 11238 and Annexes A, B, C, D, E, F, G and H. It is anticipated that Specified Substances
Group 4, as defined in ISO 11238, will be addressed in a subsequent edition of this document. Some
information that would typically fall under Specified Substances Group 4 may be covered in the
Annexes of this document. This information, although not defining of either a Substance or a Specified
Substance Group 1, may be essential to distinguishing substances. This document addresses the
following:
• Data elements necessary for defining Substances and Specified Substances Groups 1 to 3;
• The logical use of data elements as defined in ISO 11238;
• Substances and Specified Substances Groups 1 to 3 business rules for
- determining necessary data elements,
- distinguishing and defining materi
...