Basic information
- CAS
1159-93-9- Standard SMILES
CN(C)CCN1C(=O)c2ccccc2Nc2cc(Cl)ccc21- InChIKey
IDWVKNARDDZONS-UHFFFAOYSA-N- Molecular formula
- C17H18ClN3O
- Average molar mass
- 315.8 g/mol
- Monoisotopic mass
- 315.1138399
Overview
Clobenzepam is a dibenzodiazepine.
Names & identifiers
- Preferred name
- Clobenzepam
- IUPAC
- 2-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one
- English name
- Clobenzepam
- Molecular formula
- C17H18ClN3O
- Molecular weight
- 315.8
Names & synonyms
ClobenzepamClobenzepam [INN]1159-93-90O6W0NP5182-chloro-5-[2-(dimethylamino)ethyl]-11H-benzo[b][1,4]benzodiazepin-6-one7-Chloro-10-(2-(dimethylamino)ethyl)-5,10-dihydro-11H-dibenzo(b,e)(1,4)diazepin-11-oneClobenzepamumClobenzepamum [INN-Latin]7-chloro-10-[2-(dimethylamino)ethyl]-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-oneBRN 0895864UNII-0O6W0NP518WA 172
Show more names
2-chloro-5-(2-dimethylaminoethyl)-11H-benzo[b][1,4]benzodiazepin-6-one7-Chloro-10-[2-(dimethylamino)ethyl]-5H-dibenzo[b,e][1,4]diazepine-11(10H)-one10,11-Dihydro-7-chloro-10-[2-(dimethylamino)ethyl]-5H-dibenzo[b,e][1,4]diazepin-11-one11H-Dibenzo[b,e][1,4]diazepin-11-one, 7-chloro-10-[2-(dimethylamino)ethyl]-5,10-dihydro-
CLOBENZEPAM [MI]10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 7-chloro-10-(2'-(dimethylamino)ethyl)-7-Chlor-10-beta-dimethylamino-aethyl-10,11-dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepinSCHEMBL142326CHEMBL2104007DTXSID50151218CHEBI:1353525H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-7-chloro-10-(2-(dimethylamino)ethyl)-
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
LogP3.73
Physicochemical properties
- Melting point
- 165 · 165-166°
- Boiling point
- 490 · 490.0±45.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 8.78 · 8.78±0.28(Predicted)
- FDA UNII
- 0 O6W0NP518 · 0O6W0NP518
Chemistry & industry
Suppliers1 total
Shaanxi Dideu Medichem Co. Ltd+86-17392712779 · [email protected]
Additional notes
DefinitionChEBI: Clobenzepam is a dibenzodiazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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