CHEBI:83527 - O-desmethylvenlafaxine

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ChEBI Name O-desmethylvenlafaxine
ChEBI ID CHEBI:83527
ChEBI ASCII Name O-desmethylvenlafaxine
Definition A tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-hydroxyphenyl group. It is a metabolite of the drug venlafaxine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C16H25NO2
Net Charge 0
Average Mass 263.37520
Monoisotopic Mass 263.189
InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
InChIKey KYYIDSXMWOZKMP-UHFFFAOYSA-N
SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
Application(s): antidepressant
Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
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ChEBI Ontology
Outgoing O-desmethylvenlafaxine (CHEBI:83527) has role antidepressant (CHEBI:35469)
O-desmethylvenlafaxine (CHEBI:83527) has role drug metabolite (CHEBI:49103)
O-desmethylvenlafaxine (CHEBI:83527) has role marine xenobiotic metabolite (CHEBI:83399)
O-desmethylvenlafaxine (CHEBI:83527) is a cyclohexanols (CHEBI:23480)
O-desmethylvenlafaxine (CHEBI:83527) is a phenols (CHEBI:33853)
O-desmethylvenlafaxine (CHEBI:83527) is a tertiary amino compound (CHEBI:50996)
INN Source
desvenlafaxine ChemIDplus
Synonyms Sources
1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol ChEBI
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol ChEBI
Manual Xrefs Databases
4380 DrugCentral
D07793 KEGG DRUG
DB06700 DrugBank
Desvenlafaxine Wikipedia
HMDB0015646 HMDB
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Registry Numbers Types Sources
4234613 Reaxys Registry Number Reaxys
93413-62-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24493333 PubMed citation Europe PMC
24502274 PubMed citation Europe PMC
24989434 PubMed citation Europe PMC
25086830 PubMed citation Europe PMC
25188033 PubMed citation Europe PMC
Last Modified
22 February 2017