Responsive image

Common name


Methadone

IUPAC name


6-(dimethylamino)-4,4-diphenylheptan-3-one

SMILES


CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1

Compound class


Analgesics; Analgesics, Opioid; Narcotics; Antitussive Agents; Nervous System; Drugs Used in Addictive Disorders; Opioids; Diphenylpropylamine Derivatives; Drugs Used in Opioid Dependence; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP2C9 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; Cytochrome P-450 CYP2C8 Inhibitors; Cytochrome P-450 CYP2C9 Inducers; Cytochrome P-450 CYP2C19 Inducers; Cytochrome P-450 CYP2C8 Inducers; Cytochrome P-450 CYP2B6 Inducers; Cytochrome P-450 CYP2B6 Inhibitors; CYP2B6 Inhibitors (strong); CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors; Antiemetics Antagonists; Combined Inhibitors of CYP3A4 and P-glycoprotein;

Therapeutic area


For the treatment of dry cough, drug withdrawal syndrome, opioid type drug dependence, and pain.

Common name


Methadone

IUPAC name


6-(dimethylamino)-4,4-diphenylheptan-3-one

SMILES


CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1

INCHI


InChI=1S/C21H27NO/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

FORMULA


C21H27NO

Responsive image

Common name


Methadone

IUPAC name


6-(dimethylamino)-4,4-diphenylheptan-3-one

Molecular weight


309.445

clogP


4.707

clogS


-5.126

HBond Acceptor


2

HBond Donor


0

Total Polar
Surface Area


20.31

Number of Rings


2

Rotatable Bond


7

Drug ID Common name Structure CAS SMILE Frequency
FDBF00023 toluene Responsive image c1(ccccc1)C 0.1268
FDBF00066 N-methylmethanamine Responsive image N(C)C 0.0914
FDBF00141 ethylbenzene Responsive image c1(ccccc1)CC 0.0371
FDBF00736 propanal Responsive image O=CCC 0.0065
FDBF00741 (2R)-2-phenylpropanal Responsive image O=CC(C)c1ccccc1 0.0003
FDBF00742 pentanal Responsive image O=CCCCC 0.0003
FDBF00744 1-phenylbutan-2-one Responsive image O=C(Cc1ccccc1)CC 0.0003
FDBF00745 (2R)-N,N-dimethylbutan-2-amine Responsive image N(C)(C)C(CC)C 0.0007
18 , 2