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CHEBI:83446 - N,N-didesmethylvenlafaxine

ChEBI IDCHEBI:83446
ChEBI NameN,N-didesmethylvenlafaxine
Stars
ASCII NameN,N-didesmethylvenlafaxine
DefinitionA monomethoxybenzene that is the N,N-didesmethyl derivative of venlafaxine.
Last Modified18 November 2014
DownloadsMolfile
FormulaC15H23NO2
Net Charge0
Average Mass249.354
Monoisotopic Mass249.17288
SMILESCOc1ccc(C(CN)C2(O)CCCCC2)cc1
InChIInChI=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
InChIKeySUQHIQRIIBKNOR-UHFFFAOYSA-N
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.
ChEBI Ontology
Outgoing Relation(s)
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)
IUPAC Name 
1-[2-amino-1-(4-methoxyphenyl)ethyl]cyclohexanol
Registry NumbersSources
Reaxys:4233627Reaxys
CAS:93413-77-5ChemIDplus