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CHEBI:9943 - venlafaxine

ChEBI IDCHEBI:9943
ChEBI Namevenlafaxine
Stars
DefinitionA tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group.
Last Modified22 February 2017
DownloadsMolfile

FormulaC17H27NO2
Net Charge0
Average Mass277.408
Monoisotopic Mass277.20418
SMILESCOc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
InChIKeyPNVNVHUZROJLTJ-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol
INNs  Source
venlafaxineChemIDplus
venlafaxine  frWHO MedNet
venlafaxina  esWHO MedNet
venlafaxinum  laWHO MedNet
Synonyms  Source
VenlafaxineKEGG COMPOUND
ElafaxChemIDplus
Manual XrefsDatabases
C07187KEGG COMPOUND
DB00285DrugBank
VenlafaxineWikipedia
D08670KEGG DRUG
HMDB0005016HMDB
LSM-1616LINCS
2813DrugCentral
Registry NumbersSources
Reaxys:4234848Reaxys
CAS:93413-69-5KEGG COMPOUND
CAS:93413-69-5ChemIDplus
Citations