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Venlafaxine

UUID 07e19023-2f78-4519-83f7-d659fff4365a
Flow Object IDfo-950137b8b80bc089
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 93413-69-5
EC Numbers 618-944-2
prefLabel ⓘ
Language Value Provenance
en Venlafaxine
altLabel ⓘ
Language Value Provenance
en Elafax
en venlafaxina
en venlafaxinum
en (±)-Venlafaxine
en 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
en 1-[2-Dimethylamino(4-methoxyphenyl)ethyl] cyclohexanol
en Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-
en Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, (±)-
en Kanghong
en Trevilor
en Velafax
en Venlafaxin
en Venlafaxine XR
en Venlafexine
en Venlor
Definitions
Language Value Provenance
en A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey PNVNVHUZROJLTJ-UHFFFAOYSA-N
InChI InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
IUPAC name 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-1-cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
Molecular formula C17H27NO2
Molecular mass 277.408
Monoisotopic mass 277.20418
SMILES CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O, COc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 07e19023-2f78-4519-83f7-d659fff4365a 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; cas=93413-69-5; added Common Chemistry CAS names as altLabel: (±)-Venlafaxine, 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol, 1-[2-Dimethylamino(4-methoxyphenyl)ethyl] cyclohexanol, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, (±)-, Kanghong, Trevilor, Velafax, Venlafaxin, Venlafaxine XR, Venlafexine, Venlor; object_uuid=fo-950137b8b80bc089
cas_match_labels 1 — consensus_match group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'93413-69-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-950137b8b80bc089: {'93413-69-5': 'exactMatch'}
prefLabel 1 — consensus_match cas=93413-69-5; cc_chebi_agreed_name='Venlafaxine'; object_uuid=fo-950137b8b80bc089

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Venlafaxine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=93413-69-5; cc_chebi_agreed_name='Venlafaxine'; object_uuid=fo-950137b8b80bc089
altLabel [{'@value': 'Elafax', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Elafax', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Venlafaxine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Venlafaxine', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxina', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxinum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxinum', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'Elafax', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Elafax', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxina', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxinum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxinum', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=93413-69-5; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-950137b8b80bc089
altLabel [{'@value': 'Elafax', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Elafax', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxina', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxinum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxinum', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': 'Elafax', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Elafax', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxina', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'venlafaxinum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:venlafaxinum', 'http://purl.obolibrary.org/obo/CHEBI_9943', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(±)-Venlafaxine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '1-[2-Dimethylamino(4-methoxyphenyl)ethyl] cyclohexanol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, (±)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Kanghong', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trevilor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Velafax', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Venlafaxin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Venlafaxine XR', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Venlafexine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Venlor', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:93413-69-5', 'https://commonchemistry.cas.org/detail?cas_rn=93413-69-5'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; cas=93413-69-5; added Common Chemistry CAS names as altLabel: (±)-Venlafaxine, 1-[2-(Dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol, 1-[2-Dimethylamino(4-methoxyphenyl)ethyl] cyclohexanol, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, Cyclohexanol, 1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]-, (±)-, Kanghong, Trevilor, Velafax, Venlafaxin, Venlafaxine XR, Venlafexine, Venlor; object_uuid=fo-950137b8b80bc089
cas_match_labels None {'93413-69-5': 'exactMatch'} group_key=1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'93413-69-5': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-950137b8b80bc089: {'93413-69-5': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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  "unit": "kg",
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