Basic information
- CAS
59009-93-7- Standard SMILES
CN1C(=O)CN(C(N)=O)C(c2ccccc2)c2cc(Cl)ccc21- InChIKey
HFFJORVBQWPILU-UHFFFAOYSA-N- Molecular formula
- C17H16ClN3O2
- Average molar mass
- 329.8 g/mol
- Monoisotopic mass
- 329.09310443
Names & identifiers
- Preferred name
- Uxepam
- IUPAC
- 7-chloro-1-methyl-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide
- English name
- carburazepam
- Molecular formula
- C17H16ClN3O2
- Molecular weight
- 329.78
Names & synonyms
UxepamRGH-33311-methyl-4-carbamoyl-5-phenyl-7-chloro-1,3,4,5-tetrahydro-2H-1,4-benzodiazepine-2-one4H-1,4-Benzodiazepine-4-carboxamide, 7-chloro-1,2,3,5-tetrahydro-1-methyl-2-oxo-5-phenyl-RefChem:933882Carburazepam59009-93-7Carburazepam [INN]7-chloro-1-methyl-2-oxo-5-phenyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamideRGH 3331; Uxepam41622NK45VCarburazepamum
Show more names
7-Chloro-1,2,3,5-tetrahydro-1-methyl-2-oxo-5-phenyl-4H-1,4-benzodiazepine-4-carboxamide
4-CdhdCarburazepamum [INN-Latin]Rgh 3331UNII-41622NK45VEINECS 261-555-47-chloro-1-methyl-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4h-1,4-benzodiazepine-4-carboxamide86636-97-7orb1708026
Database identifiers
- CAS
59009-93-7、86636-97-7- PubChem CID
- 68787
- DTXSID
DTXSID20866726- ChEMBL
CHEMBL2106492- UNII
- 41622NK45V
- EC Number
- 261-555-4
- Nikkaji
- J12.245I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 565.5 · 565.5±60.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 14.15 · 14.15±0.40(Predicted)
- FDA UNII
- 41622 NK45V · 41622NK45V
Chemistry & industry
Applications
UsesCarburazepam is a agent which derives from benzodiazepine. Benzodiazepines (BZD, BZs) are a class of psychoactive agents whose core chemical structure is the fusion of a benzene ring and a diazepine ring.
Related reactions
11 records
Compound notes
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