CHEBI:83446 - N,N-didesmethylvenlafaxine

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ChEBI Name N,N-didesmethylvenlafaxine
ChEBI ASCII Name N,N-didesmethylvenlafaxine
Definition A monomethoxybenzene that is the N,N-didesmethyl derivative of 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/c1-18-13-7-5-12(6-8-13)14(11-16)15(17)9-3-2-4-10-15/h5-8,14,17H,2-4,9-11,16H2,1H3
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,N-didesmethylvenlafaxine (CHEBI:83446) has role drug metabolite (CHEBI:49103)
N,N-didesmethylvenlafaxine (CHEBI:83446) has role marine xenobiotic metabolite (CHEBI:83399)
N,N-didesmethylvenlafaxine (CHEBI:83446) is a amino alcohol (CHEBI:22478)
N,N-didesmethylvenlafaxine (CHEBI:83446) is a cyclohexanols (CHEBI:23480)
N,N-didesmethylvenlafaxine (CHEBI:83446) is a monomethoxybenzene (CHEBI:25235)
N,N-didesmethylvenlafaxine (CHEBI:83446) is a primary amino compound (CHEBI:50994)
Registry Numbers Types Sources
4233627 Reaxys Registry Number Reaxys
93413-77-5 CAS Registry Number ChemIDplus
Last Modified
18 November 2014
General Comments
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag
2014-10-29 Suggested Classification: ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:aralkylamine(CHEBI:18000); ISA:cyclohexanols(CHEBI:23480); ISA:tertiary alcohol(CHEBI:26878); ISA:amino alcohol(CHEBI:22478); ISA:organic hydroxy compound(CHEBI:33822); ISA:alkylamine(CHEBI:13759);
2014-10-29 Metabolite of Venlafaxin