alpha-Acetylmethadol hydrochloride
Basic information
- CAS
53757-35-0- Standard SMILES
CC[C@@H](OC(C)=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl- InChIKey
UXBPQRGCVJOTNT-TVNLMDKXSA-N- Molecular formula
- C23H32ClNO2
- Average molar mass
- 390 g/mol
- Monoisotopic mass
- 389.212157
Names & identifiers
- Preferred name
- alpha-Acetylmethadol hydrochloride
- IUPAC
- [(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride
- English name
- R-(R*,R*)]-β-[2-(diMethylaMino)propyl]-α-ethyl-β-phenylbenzeneethanol Acetate (Ester) Hydroch
- Molecular formula
- C23H32ClNO2
- Molecular weight
- 389.96
Names & synonyms
alpha-Acetylmethadol hydrochloride53757-35-03SA3GLL5HGalpha-d-Acetylmethadol hydrochlorideBenzeneethanol, beta-(2-(dimethylamino)propyl)-alpha-ethyl-beta-phenyl-, acetate (ester), hydrochloride, (R-(R*,R*))-RefChem:1076435(+)-alpha-Acetylmethadol Hydrochloride[(3R,6R)-6-(dimethylamino)-4,4-diphenylheptan-3-yl] acetate;hydrochloride((3R,6R)-6-(DIMETHYLAMINO)-4,4-DIPHENYLHEPTAN-3-YL) ACETATE;HYDROCHLORIDEUNII-3SA3GLL5HGSCHEMBL1255359.ALPHA.-ACETYLMETHADOL HYDROCHLORIDE
Show more names
(+)-α-Acetylmethadol Hydrochloride(αR)-β-[(2R)-2-(diMethylaMino)propyl]-α-ethyl-β-phenylbenzeneethanol 1-Acetate HydrochlorideR-(R*,R*)]-β-[2-(diMethylaMino)propyl]-α-ethyl-β-phenylbenzeneethanol Acetate (Ester) Hydroch
.ALPHA.-D-ACETYLMETHADOL HYDROCHLORIDE(+)-.ALPHA.-ACETYLMETHADOL HYDROCHLORIDE(+)-alpha-Acetylmethadol Hydrochloride; Benzeneethanol, ss-[(2R)-2-(dimethylamino)propyl]-a-ethyl-ss-phenyl-, 1-acetate, hydrochloride (1:1), (aR)-; Benzeneethanol, ss-[(2R)-2-(dimethylamino)propyl]-a-ethyl-ss-phenyl-, acetate (ester), hydrochloride, (aR)- (9CI); Benzeneethanol, ss-[2-(dimethylaminoBENZENEETHANOL, .BETA.-((2R)-2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, 1-ACETATE, HYDROCHLORIDE (1:1), (.ALPHA.R)-BENZENEETHANOL, .BETA.-(2-(DIMETHYLAMINO)PROPYL)-.ALPHA.-ETHYL-.BETA.-PHENYL-, ACETATE (ESTER), HYDROCHLORIDE, (R-(R*,R*))-
Database identifiers
- CAS
53757-35-0- PubChem CID
- 201444
- UNII
- 3SA3GLL5HG
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- FDA UNII
- 3 SA3GLL5HG · 3SA3GLL5HG
Chemistry & industry
Applications
UsesThe enantiomer of (-)-α-Acetylmethadol (A186325), a synthetic opioid similar in structure to Methadone (M225865) used in the treatment of opiate dependence. (+)-α-Acetylmethadol is more effective than (-)-α-Acetylmethadol in competing for both 3H-ligands from the opiate receptors.
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