Basic information
- CAS
68946-52-1- Standard SMILES
O=C(O)CCC(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O- InChIKey
UCUOKZUJHTYPJT-LJQANCHMSA-N- Molecular formula
- C19H15ClN2O5
- Average molar mass
- 386.8 g/mol
- Monoisotopic mass
- 386.0669493
Names & identifiers
- Preferred name
- Oxazepam hemisuccinate, (-)-
- IUPAC
- 4-[[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
Names & synonyms
Oxazepam hemisuccinate, (-)-l-Oxazepam hemisuccinate(R)-Oxazepam hemisuccinate68946-52-1(-)-Oxazepam hemisuccinateH0I85QV8GLButanedioic acid, mono(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) ester, (R)-Butanedioic acid, mono((3R)-7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl) esterDTXSID30219007butanedioic acid, mono[(3R)-7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl] esterRefChem:168850DTXCID10141498
Show more names
UNII-H0I85QV8GL(-)-RV 1209RV 1209, (-)-4-[[(3R)-7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid1H-1,4-Benzodiazepine, butanedioic acid deriv.AKOS040747240(R)-4-((7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)oxy)-4-oxobutanoic acid4-{[(3R)-7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]oxy}-4-oxobutanoic acid
Database identifiers
- CAS
68946-52-1- PubChem CID
- 644115
- DTXSID
DTXSID30219007- UNII
- H0I85QV8GL
- Nikkaji
- J543.547A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…