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CHEBI:50140 - methadone hydrochloride

ChEBI IDCHEBI:50140
ChEBI Namemethadone hydrochloride
Stars
Last Modified17 June 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H27NO.HCl
Net Charge0
Average Mass345.914
Monoisotopic Mass345.18594
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H
InChIKeyFJQXCDYVZAHXNS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methadone hydrochloride (CHEBI:50140) has part methadone (CHEBI:6807)
methadone hydrochloride (CHEBI:50140) is a hydrochloride (CHEBI:36807)
IUPAC Name 
6-(dimethylamino)-4,4-diphenylheptan-3-one hydrochloride
Synonyms  Source
(±)-methadone hydrochlorideDrugBank
DL-Methadone hydrochlorideDrugBank
Phenadone hydrochlorideDrugBank
AlgolysinChemIDplus
Brand Names  Source
Dolophine hydrochlorideKEGG DRUG
PhyseptoneDrugBank
HeptadonDrugBank
AdolanDrugBank
Manual XrefsDatabases
D02102KEGG DRUG
Registry NumbersSources
Beilstein:3919789Beilstein
CAS:1095-90-5KEGG DRUG
CAS:1095-90-5ChemIDplus