Details of the Drug

General Information of Drug (ID: DM429AE)

Drug Name
Levomethadyl acetate hydrochloride
Synonyms
Levacetilmetadol; Levacetilmetadol [INN-Spanish]; Levacetylmethadol; Levacetylmethadol (INN); Levacetylmethadol [INN]; Levacetylmethadolum; Levacetylmethadolum [INN-Latin]; Levomethadyl; Levomethadyl acetate; Levacetyl methadol hydrochloride; LAAM hydrochloride; Levomethadyl acetate HCl; MK 790; MK-790 hydrochloride; ORLAAM hydrochloride; l-Acetylmethadol hydrochloride; (-)-(3S,6S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate (ester), hydrochloride; 43033-72-3; 6-Dimethylamino-4,4-diphenyl-3-heptanolacetate.HCl; B54CW5KG52; CCRIS 3321; Levomethadyl acetate hydrochloride; Levomethadyl acetate hydrochloride [USAN]; UNII-B54CW5KG52; alpha-l-Acetylmethadol hydrochloride; l-alpha-Acetylmethadol hydrochloride; N-alpha-Acetylmethadol; Orlaam; alpha-l-Acetylmethadol; l-alpha-Acetylmethadol; levo-Alphacetylmethadol; levo-Methadyl acetate; levo-alpha-Acetylmethadol; (-)-alpha-Acetylmethadol; 1-alpha-Acetylmethadol; 1477-40-3; DEA No. 9648; LAAM; UNII-R3B637Y991; alpha-(-)-Acetylmethadol
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 390
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 2.6 days [1]
Chemical Identifiers
Formula
C23H32ClNO2
IUPAC Name
[(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
Canonical SMILES
CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl
InChI
UXBPQRGCVJOTNT-COBSGTNCSA-N
InChIKey
1S/C23H31NO2.ClH/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,18,22H,6,17H2,1-5H3;1H/t18-,22-;/m0./s1
Cross-matching ID
PubChem CID
39371
ChEBI ID
CHEBI:6442
CAS Number
43033-72-3
INTEDE ID
DR0944

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [2]
Cytochrome P450 3A5 (CYP3A5) DEIBDNY CP3A5_HUMAN Substrate [3]
Aromatase (CYP19A1) DEQX145 CP19A_HUMAN Substrate [4]
Cytochrome P450 3A7 (CYP3A7) DERD86B CP3A7_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
2 Paradoxical role of cytochrome P450 3A in the bioactivation and clinical effects of levo-alpha-acetylmethadol: importance of clinical investigations to validate in vitro drug metabolism studies. Clin Pharmacokinet. 2005;44(7):731-51.
3 Drug Interactions Flockhart Table
4 N-demethylation of levo-alpha-acetylmethadol by human placental aromatase. Biochem Pharmacol. 2004 Mar 1;67(5):885-92.