Lorazepam hemisuccinate
Basic information
- CAS
127930-80-7- Standard SMILES
O=C(O)CCC(=O)OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O- InChIKey
NFXVKMXGODLOOD-UHFFFAOYSA-N- Molecular formula
- C19H14Cl2N2O5
- Average molar mass
- 421.2 g/mol
- Monoisotopic mass
- 420.0279769
Overview
RN given refers to the (+-)-isomer
Names & identifiers
- Preferred name
- Lorazepam hemisuccinate
- IUPAC
- 4-[[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid
- English name
- lorazepam hemisuccinate
- Molecular formula
- C19H14Cl2N2O5
- Molecular weight
- 421.23
Names & synonyms
Lorazepam hemisuccinate127930-80-7RefChem:1540964-[[7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acidDTXSID50926029AKOS0407526764-((7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)oxy)-4-oxobutanoic acid4-{[7-Chloro-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl]oxy}-4-oxobutanoic acidButanedioic acid, mono(7-chloro-5-(2-chlorophenyl)-2,2-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl esterButanedioic acid, mono(7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl) ester, (+-)-Butanedioic acid, 1-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-3-yl] esterButanedioic acid hydrogen 1-[[7-chloro-1,3-dihydro-5-(2-chlorophenyl)-2-oxo-2H-1,4-benzodiazepin]-3-yl] ester
Database identifiers
- CAS
127930-80-7- PubChem CID
- 62967
- DTXSID
DTXSID50926029- Nikkaji
- J372.192B
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
- 28
- Formal charge
- 0
- Complexity
- 656
Physicochemical properties
- Boiling point
- 649.1 · 649.1±55.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.17(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…