CHEBI:83529 - N,O-didesmethylvenlafaxine

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ChEBI Name N,O-didesmethylvenlafaxine
ChEBI ID CHEBI:83529
ChEBI ASCII Name N,O-didesmethylvenlafaxine
Definition A secondary amino compound that is N-methylethanamine substituted by a 1-hydroxycyclohexyl and a 4-hydroxyphenyl group at position 1. It is a metabolite of the drug venlafaxine.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H23NO2
Net Charge 0
Average Mass 249.34860
Monoisotopic Mass 249.17288
InChI InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3
InChIKey MMSWXJSQCAEDLK-UHFFFAOYSA-N
SMILES CNCC(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.
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ChEBI Ontology
Outgoing N,O-didesmethylvenlafaxine (CHEBI:83529) has role drug metabolite (CHEBI:49103)
N,O-didesmethylvenlafaxine (CHEBI:83529) has role marine xenobiotic metabolite (CHEBI:83399)
N,O-didesmethylvenlafaxine (CHEBI:83529) is a cyclohexanols (CHEBI:23480)
N,O-didesmethylvenlafaxine (CHEBI:83529) is a phenols (CHEBI:33853)
N,O-didesmethylvenlafaxine (CHEBI:83529) is a secondary amino compound (CHEBI:50995)
IUPAC Name
4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol
Synonym Source
N-desmethyldesvenlafaxine ChEBI
Registry Numbers Types Sources
135308-74-6 CAS Registry Number ChemIDplus
8846364 Reaxys Registry Number Reaxys
Last Modified
18 November 2014