Lorazepam acetate, (S)-
Basic information
- CAS
84799-34-8- Standard SMILES
CC(=O)O[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O- InChIKey
CYDZMDOLVUBPNL-KRWDZBQOSA-N- Molecular formula
- C17H12Cl2N2O3
- Average molar mass
- 363.2 g/mol
- Monoisotopic mass
- 362.0224976
Names & identifiers
- Preferred name
- Lorazepam acetate, (S)-
- IUPAC
- [(3S)-7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
- English name
- (S)-Lorazepam acetate
- Molecular formula
- C17H12Cl2N2O3
- Molecular weight
- 363.2
Names & synonyms
(S)-Lorazepam acetateLorazepam acetate, (S)-l-Lorazepam acetate84799-34-8(-)-Lorazepam acetateIO205N1QKB2H-1,4-benzodiazepin-2-one, 3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-, (3S)-DTXSID00233836RefChem:154094DTXCID30156327UNII-IO205N1QKB[(3S)-7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate
Show more names
CHEMBL408226AKOS040752678Q27280820(3S)-7-Chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate2H-1,4-Benzodiazepin-2-one, 3-(acetyloxy)-7-chloro-5-(2-chlorophenyl)-1,3-dihydro-, (S)- (9CI)
Database identifiers
- CAS
84799-34-8- PubChem CID
- 644113
- DTXSID
DTXSID00233836- ChEMBL
CHEMBL408226- UNII
- IO205N1QKB
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Physicochemical properties
- Boiling point
- 524.38 · 524.380±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.459 · 1.459±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.34 · 10.340±0.70(predicted)
- FDA UNII
- 205 N1QKB · IO205N1QKB
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Related reactions
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Compound notes
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