CHEBI:9944 - venlafaxine hydrochloride

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name venlafaxine hydrochloride ChEBI ID CHEBI:9944 Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H27NO2.HCl Net Charge 0 Average Mass 313.86246 Monoisotopic Mass 313.18086 InChI InChI=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 InChIKey QYRYFNHXARDNFZ-UHFFFAOYSA-N SMILES [H+].[Cl-].COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1 ChEBI Ontology Outgoing 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 Sources (+-)-1-(alpha-((Dimethylamino)methyl)-p-methoxybenzyl)cyclohexanol hydrochloride ChemIDplus Venlafaxine HCl ChemIDplus Wy 45030 ChemIDplus Manual Xrefs Databases D00821 KEGG DRUG DB00285 DrugBank View more database links Registry Numbers Types Sources 4240401 Beilstein Registry Number Beilstein 99300-78-4 CAS Registry Number ChemIDplus Last Modified 02 December 2008