UCSF

ZINC01530967

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 26 Yes

Popular Name: Levomethadyl Acetate Levomethadyl Acetate

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CAS Numbers: 1477-40-3 , 43033-72-3 , 509-74-0

Other Names:

(-)-(3S,6S)-6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate (ester), hydrochloride; (1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate hydrochloride; 3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), hydrochloride, (3S,6S)-(-)-; 4-

(-)-6-(Dimethylamino)-4,4-diphenyl-3-heptanol acetate (ester)

(-)-alpha-Acetylmethadol

(-)-alpha-Acetylmethadol; (1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate; 1-alpha-Acetylmethadol; LAAM; Levacetylmethadol; Levomethadyl; Levomethadyl acetate

(1S,4S)-4-(dimethylamino)-1-ethyl-2,2-diphenylpentyl acetate

(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-2-yl acetate

1-alpha-acetylmethadol

1-alpha-Acetylmethadol;LAAM;Levacetilmetadol [INN-Spanish];Levacetylmethadol;Levacetylmethadolum [INN-Latin];Levo-Alphacetylmethadol;Levo-Methadyl Acetate;Levomethadyl;Nor-LAAM

1477-40-3

1477-40-3; C08012; LAAM; Levomethadyl acetate

3-HEPTANOL, 6-(DIMETHYLAMINO)-4,4-DIPHENYL-, ACETATE (ester), (3S,6S)-(-)-

3-Heptanol, 6-(dimethylamino)-4,4-diphenyl-, acetate (ester), (3S,6S)-(-)- (8CI)

34433-66-4

4-Acetoxy-N,N-dimethyl-3-diphenyl-1-methylhexylamine hydrochloride; Acetic acid, (4-(dimethylamino)-2,2-diphenyl-1-ethyl)pentyl ester, hydrochloride; Aceylmethadol hydrochloride; Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, ace

43033-72-3; D00840; Levomethadyl acetate hydrochloride (USAN); Orlaam (TN)

509-74-0; Acetylmethadol (INN); D04973; Methadyl acetate (USAN)

a-l-acetylmethadol

AC1L2582

AC1Q5X3P

Acetilmetadol [inn-spanish]

Acetylmethadol

Acetylmethadol (BAN

Acetylmethadolum [inn-latin]

alpha-(-)-Acetylmethadol

alpha-l-Acetylmethadol

Benzeneethanol, beta-((2S)-2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)-

Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (-)-

Benzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), (S-(R*,R*))-

benzeneethanol, beta-[(2S)-2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)-

Benzeneethanol, beta-[(2S)-2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), (alphaS)- (9CI)

Benzeneethanol, beta-[2-(dimethylamino)propyl]-alpha-ethyl-beta-phenyl-, acetate (ester), [S-(R*,R*)]-

Betamethadol

BIDD:GT0373

BIDD:PXR0155

C08012

CHEBI:6441

CHEMBL1514

CID15130

D04716

DAP001139

DB01227

DCF

DEA No. 9648

INN)

l-alpha-Acetylmethadol

LAAM

LAAM; MK-790

LAM

Levacetilmetadol

Levacetilmetadol [INN-Spanish]

levacetilmetadol; levacetylmethadol; levacetylmethadolum

Levacetylmethadol

Levacetylmethadol (INN)

Levacetylmethadol (INN); Levomethadyl Acetate (USAN); Levomethadyl Acetate HCl (FDA

Levacetylmethadol [INN]

Levacetylmethadolum

Levacetylmethadolum [INN-Latin]

levo-alpha-Acetylmethadol

Levo-Alphacetylmethadol

Levo-Methadyl Acetate

Levomethadyl

Levomethadyl acetate (USAN)

Levomethadyl Acetate Hydrochloride

Levomethadyl Acetate Hydrochloride (FDA

LS-187090

LS-194233

LS-74438

LS-74439

Methadyl Acetate

MK-790

MolPort-004-285-956

N-alpha-Acetylmethadol

Nor-LAAM

Orlaam

USAN)

USAN); Levacetylmethadol (INN); Levomethadyl Acetate (USAN)

[(3S,6S)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate

[S-(R*,R*)]-beta-[2-Dimethylamino)propyl]-alpha-ethyl-beta-phenylbenzeneethanol acetate (ester)

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.14 5.4 -30.54 1 3 1 30 354.514 9 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.79e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0174342A1; EP1040829A3; EP1051181A2; EP1054998A1; US4771059; US4933438; US5082853; US5296483; US5795909; US5834480; US5919473; US5985856; WO1985003937A1; WO1997044063A2; WO1998051246A1; WO1998056382A1; WO1999033846A2; WO1999036570A2; WO2000040604A2; WO2 IBM Patent Data
Patent Database Links EP1584335; US2005026963; US2005065340; US2005085514; US2005153986; US2005240021; US2006154929; US2006193926; US2007213338; US2008234306; WO2005041971; WO2006127898; WO2006127899; WO2008136865 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 450 0.34 Binding ≤ 10μM
OPRK-3-E Kappa Opioid Receptor (cluster #3 Of 6), Eukaryotic Eukaryotes 450 0.34 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 450 0.34 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 450 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.2 0.48 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 1.2 0.48 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.48 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 1.2 0.48 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.2 0.48 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 1.2 0.48 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.2 0.48 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 1.2 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

Analogs ( Draw Identity 99% 90% 80% 70% )