CHEBI:50140 - methadone hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name methadone hydrochloride
ChEBI ID CHEBI:50140
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C21H27NO.HCl
C21H28ClNO
Net Charge 0
Average Mass 345.90586
Monoisotopic Mass 345.18594
InChI InChI=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
InChIKey FJQXCDYVZAHXNS-UHFFFAOYSA-N
SMILES Cl.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
ChEBI Ontology
Outgoing 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 Sources
(±)-methadone hydrochloride DrugBank
Algolysin ChemIDplus
DL-Methadone hydrochloride DrugBank
Phenadone hydrochloride DrugBank
Brand Names Sources
Adolan DrugBank
Dolophine hydrochloride KEGG DRUG
Heptadon DrugBank
Physeptone DrugBank
Manual Xref Database
D02102 KEGG DRUG
View more database links
Registry Numbers Types Sources
1095-90-5 CAS Registry Number ChemIDplus
1095-90-5 CAS Registry Number KEGG DRUG
3919789 Beilstein Registry Number Beilstein
Last Modified
17 June 2008