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CHEBI:83527 - O-desmethylvenlafaxine

ChEBI IDCHEBI:83527
ChEBI NameO-desmethylvenlafaxine
Stars
ASCII NameO-desmethylvenlafaxine
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC16H25NO2
Net Charge0
Average Mass263.381
Monoisotopic Mass263.18853
SMILESCN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=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
InChIKeyKYYIDSXMWOZKMP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
Application:
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
ChEBI Ontology
Outgoing Relation(s)
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
desvenlafaxineChemIDplus
Synonyms  Source
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenolChEBI
1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanolChEBI
Manual XrefsDatabases
HMDB0015646HMDB
DesvenlafaxineWikipedia
DB06700DrugBank
D07793KEGG DRUG
4380DrugCentral
Registry NumbersSources
Reaxys:4234613Reaxys
CAS:93413-62-8ChemIDplus
Citations