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CHEBI:83525 - N-desmethylvenlafaxine

ChEBI IDCHEBI:83525
ChEBI NameN-desmethylvenlafaxine
Stars
ASCII NameN-desmethylvenlafaxine
DefinitionA monomethoxybenzene that is the N-desmethyl derivative of venlafaxine.
Last Modified18 November 2014
DownloadsMolfile
FormulaC16H25NO2
Net Charge0
Average Mass263.381
Monoisotopic Mass263.18853
SMILESCNCC(c1ccc(OC)cc1)C1(O)CCCCC1
InChIInChI=1S/C16H25NO2/c1-17-12-15(16(18)10-4-3-5-11-16)13-6-8-14(19-2)9-7-13/h6-9,15,17-18H,3-5,10-12H2,1-2H3
InChIKeyMKAFOJAJJMUXLW-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-desmethylvenlafaxine (CHEBI:83525) has role drug metabolite (CHEBI:49103)
N-desmethylvenlafaxine (CHEBI:83525) has role marine xenobiotic metabolite (CHEBI:83399)
N-desmethylvenlafaxine (CHEBI:83525) is a cyclohexanols (CHEBI:23480)
N-desmethylvenlafaxine (CHEBI:83525) is a monomethoxybenzene (CHEBI:25235)
N-desmethylvenlafaxine (CHEBI:83525) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
1-[1-(4-methoxyphenyl)-2-(methylamino)ethyl]cyclohexanol
Synonym  Source
NorvenlafaxineChemIDplus
Registry NumbersSources
Reaxys:4234609Reaxys
CAS:149289-30-5ChemIDplus
Citations