Molecular Identity
Methadone
6-(dimethylamino)-4,4-diphenylheptan-3-one
PubChem CID: 4095
Methadone is a racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction. It has a role as an opioid analgesic, a xenobiotic, a serotonin uptake inhibitor, a mu-opioid receptor agonist, a NMDA receptor antagonist and an environmental contaminant. It contains a levomethadone and a dextromethadone.
2D Structure
Properties
C21H27NO
Molecular Formula
309.40
Molecular Weight
g/mol
309.2093
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
20.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
346
Complexity
SMILES
Canonical SMILES
SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2Isomeric SMILES
SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2Synonyms(20)
methadonedl-MethadoneDiaminonPhenadoneDolophinHeptadoneKetalginMethadonAdanonAmidoneAlgovetinHeptanon76-99-3PhyseptoneRacemic methadone
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Methadone
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