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Phenazopyridine Hydrochloride

UUID fe0acd60-3ddc-11dd-9f73-0050c2490048
Deprecated yes
Replaced By fe0acd60-3ddc-11dd-9f74-0050c2490048
Flow Object IDfo-4fd151705e376cca
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 136-40-3
EC Numbers 205-243-8
prefLabel
Language Value Provenance
en Phenazopyridine Hydrochloride
altLabel ⓘ
Language Value Provenance
en 2,6-Diamino-3-(phenylazo)pyridine monohydrochloride
en 2,6-Diamino-3-phenylazopyridine hydrochloride
en 3-(Phenylazo)-2,6-pyridinediamine hydrochloride
en 3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride
en 3-Phenylazo-2,6-diaminopyridine hydrochloride
en Phenazopyridine HCl
en Phenazopyridinium chloride
en phenazopyridine monohydrochloride
en 2,6-Diamino-3-phenylazopyridine monohydrochloride
en 2,6-Pyridinediamine, 3-(2-phenyldiazenyl)-, hydrochloride (1:1)
en 2,6-Pyridinediamine, 3-(phenylazo)-, monohydrochloride
en Azodyne
en Bisteril
en Diridone
en Mallophene
en NC 150
en Phenazodine
en Phenylazo tablets
en Pirid
en Pyridacil
en Pyridiate
en Pyridine, 2,6-diamino-3-(phenylazo)-, monohydrochloride
en Pyridium
en Pyripyridium
en Sedural
en Uridinal
en Urisept
en Urodine
en W 1655
en β-Phenylazo-α,α′-diaminopyridine hydrochloride
Definitions
Language Value Provenance
en A hydrochloride obtained by combining phenazopyridine with one equivalent of hydrochloric acid. A local anesthetic that has topical analgesic effect on mucosa lining of the urinary tract. Its use is limited by problems with toxicity (primarily blood disorders) and potential carcinogenicity.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QQBPIHBUCMDKFG-UHFFFAOYSA-N
InChI InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H
IUPAC name (6-amino-3-phenylazo-2-pyridyl)amine;hydrochloride, 3-phenylazopyridine-2,6-diamine;hydrochloride, 3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
Molecular formula C11H11N5.HCl, C11H12ClN5
Molecular mass 249.705
Monoisotopic mass 249.07812
SMILES C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl, Cl.Nc1ccc(N=Nc2ccccc2)c(N)n1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 fe0acd60-3ddc-11dd-9f73-0050c2490048 phenazopyridine hydrochloride

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=phenazopyridinehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; cas=136-40-3; added Common Chemistry CAS names as altLabel: 2,6-Diamino-3-phenylazopyridine monohydrochloride, 2,6-Pyridinediamine, 3-(2-phenyldiazenyl)-, hydrochloride (1:1), 2,6-Pyridinediamine, 3-(phenylazo)-, monohydrochloride, Azodyne, Bisteril, Diridone, Mallophene, NC 150, Phenazodine, Phenylazo tablets, Pirid, Pyridacil, Pyridiate, Pyridine, 2,6-diamino-3-(phenylazo)-, monohydrochloride, Pyridium, Pyripyridium, Sedural, Uridinal, Urisept, Urodine, W 1655, β-Phenylazo-α,α′-diaminopyridine hydrochloride; object_uuid=fo-4fd151705e376cca
cas_match_labels 1 — consensus_match group_key=phenazopyridinehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'136-40-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4fd151705e376cca: {'136-40-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '2,6-Diamino-3-(phenylazo)pyridine monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,6-Diamino-3-(phenylazo)pyridine monohydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,6-Diamino-3-phenylazopyridine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,6-Diamino-3-phenylazopyridine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-(Phenylazo)-2,6-pyridinediamine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-(Phenylazo)-2,6-pyridinediamine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Phenylazo-2,6-diaminopyridine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Phenylazo-2,6-diaminopyridine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenazopyridine HCl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenazopyridine HCl', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenazopyridinium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenazopyridinium chloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phenazopyridine monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phenazopyridine monohydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '2,6-Diamino-3-(phenylazo)pyridine monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,6-Diamino-3-(phenylazo)pyridine monohydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,6-Diamino-3-phenylazopyridine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2,6-Diamino-3-phenylazopyridine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-(Phenylazo)-2,6-pyridinediamine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-(Phenylazo)-2,6-pyridinediamine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-(phenyldiazenyl)pyridine-2,6-diamine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '3-Phenylazo-2,6-diaminopyridine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:3-Phenylazo-2,6-diaminopyridine hydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenazopyridine HCl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenazopyridine HCl', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Phenazopyridinium chloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Phenazopyridinium chloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'phenazopyridine monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:phenazopyridine monohydrochloride', 'http://purl.obolibrary.org/obo/CHEBI_71419', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2,6-Diamino-3-phenylazopyridine monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Pyridinediamine, 3-(2-phenyldiazenyl)-, hydrochloride (1:1)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2,6-Pyridinediamine, 3-(phenylazo)-, monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Azodyne', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bisteril', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Diridone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Mallophene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NC 150', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenazodine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Phenylazo tablets', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pirid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridacil', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridiate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridine, 2,6-diamino-3-(phenylazo)-, monohydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyridium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyripyridium', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Sedural', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Uridinal', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urisept', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Urodine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'W 1655', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-Phenylazo-α,α′-diaminopyridine hydrochloride', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:136-40-3', 'https://commonchemistry.cas.org/detail?cas_rn=136-40-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=phenazopyridinehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; cas=136-40-3; added Common Chemistry CAS names as altLabel: 2,6-Diamino-3-phenylazopyridine monohydrochloride, 2,6-Pyridinediamine, 3-(2-phenyldiazenyl)-, hydrochloride (1:1), 2,6-Pyridinediamine, 3-(phenylazo)-, monohydrochloride, Azodyne, Bisteril, Diridone, Mallophene, NC 150, Phenazodine, Phenylazo tablets, Pirid, Pyridacil, Pyridiate, Pyridine, 2,6-diamino-3-(phenylazo)-, monohydrochloride, Pyridium, Pyripyridium, Sedural, Uridinal, Urisept, Urodine, W 1655, β-Phenylazo-α,α′-diaminopyridine hydrochloride; object_uuid=fo-4fd151705e376cca
cas_match_labels None {'136-40-3': 'exactMatch'} group_key=phenazopyridinehydrochloride||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'136-40-3': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4fd151705e376cca: {'136-40-3': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "136-40-3"
  ],
  "ec_numbers": [
    "205-243-8"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "fe0acd60-3ddc-11dd-9f73-0050c2490048",
  "input_datasets": [
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  "source_refs": [
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      "source_flow_uuid": "fe0acd60-3ddc-11dd-9f73-0050c2490048",
      "source_flow_name": "phenazopyridine hydrochloride",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Phenazopyridine Hydrochloride",
      "@language": "en",
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  "_sources": {
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    "context": "default_context_mapping",
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  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
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  "properties": {
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      "@value": [
        "C11H11N5.HCl",
        "C11H12ClN5"
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      "rdfs:label": "Molecular formula",
      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "@value": [
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C11H11N5.ClH/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8;/h1-7H,(H4,12,13,14);1H"
      ],
      "rdfs:label": "InChI",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
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      "rdfs:label": "InChIKey",
      "provenance": [
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