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CHEBI:7495 - nefazodone hydrochloride

ChEBI IDCHEBI:7495
ChEBI Namenefazodone hydrochloride
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Last Modified24 October 2014
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FormulaC25H32ClN5O2.HCl
Net Charge0
Average Mass506.478
Monoisotopic Mass505.20113
SMILESCCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1.Cl
InChIInChI=1S/C25H32ClN5O2.ClH/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22;/h3-6,8-11,20H,2,7,12-19H2,1H3;1H
InChIKeyDYCKFEBIOUQECE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
nefazodone hydrochloride (CHEBI:7495) has part nefazodone (CHEBI:7494)
nefazodone hydrochloride (CHEBI:7495) is a hydrochloride (CHEBI:36807)
IUPAC Name 
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one hydrochloride
Synonyms  Source
1-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-3-ethyl-4-(2-phenoxyethyl)-delta(sup 2)-1,2,4-triazolin-5-one monohydrochlorideChemIDplus
Nefazodone HClChEBI
Manual XrefsDatabases
D00819KEGG DRUG
DB01149DrugBank
Registry NumbersSources
Beilstein:4636943Beilstein
CAS:82752-99-6ChemIDplus