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CHEBI:9944 - venlafaxine hydrochloride

ChEBI IDCHEBI:9944
ChEBI Namevenlafaxine hydrochloride
Stars
Last Modified2 December 2008
DownloadsMolfile
FormulaH.C17H27NO2.Cl
Net Charge0
Average Mass313.869
Monoisotopic Mass313.18086
SMILESCOc1ccc(C(CN(C)C)C2(O)CCCCC2)cc1.[Cl-].[H+]
InChIInChI=1S/C17H27NO2.ClH/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;1H
InChIKeyQYRYFNHXARDNFZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
venlafaxine hydrochloride (CHEBI:9944) has part venlafaxine (CHEBI:9943)
venlafaxine hydrochloride (CHEBI:9944) is a hydrochloride (CHEBI:36807)
IUPAC Name 
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexanol hydrochloride
Synonyms  Source
(+-)-1-(alpha-((Dimethylamino)methyl)-p-methoxybenzyl)cyclohexanol hydrochlorideChemIDplus
Venlafaxine HClChemIDplus
Wy 45030ChemIDplus
Manual XrefsDatabases
D00821KEGG DRUG
DB00285DrugBank
Registry NumbersSources
Beilstein:4240401Beilstein
CAS:99300-78-4ChemIDplus