methadone

Ligand id: 5458

Name: methadone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 20.31
Molecular weight 309.21
XLogP 7.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1947, prior history not available))
IUPAC Name
6-(dimethylamino)-4,4-diphenylheptan-3-one
International Nonproprietary Names
INN number INN
788 methadone
Synonyms
(±)-methadone | dl-methadone | Dolophine HCL® | methadone HCl | Methadose®
Database Links
CAS Registry No. 76-99-3
ChEBI CHEBI:6807
ChEMBL Ligand CHEMBL651
DrugBank Ligand DB00333
GtoPdb PubChem SID 178102108
PubChem CID 4095
Search Google for chemical match using the InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone USSIQXCVUWKGNF
Search PubMed clinical trials methadone
Search PubMed titles methadone
Search PubMed titles/abstracts methadone
Search UniChem for chemical match using the InChIKey USSIQXCVUWKGNF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone USSIQXCVUWKGNF
Wikipedia Methadone
Comments
The approved drug methadone is a racemic mixture of two enantiomers; (S)-methadone and (R)-methadone. The structure shown here does not specify stereochemistry and represents the mixture.