Ethyl dirazepate
Basic information
- CAS
23980-14-5- Standard SMILES
CCOC(=O)C1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O- InChIKey
XFVPZJMXRNBHLQ-UHFFFAOYSA-N- Molecular formula
- C18H14Cl2N2O3
- Average molar mass
- 377.2 g/mol
- Monoisotopic mass
- 376.0381477
Names & identifiers
- Preferred name
- Ethyl dirazepate
- IUPAC
- ethyl 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate
- English name
- Ethyl
- Molecular formula
- C18H14Cl2N2O3
- Molecular weight
- 377.22
Names & synonyms
Ethyl dirazepate23980-14-5Ethyl dirazepate [INN]ethyl 7-chloro-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate74FAA305EWEthyl 7-chloro-5-(o-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepine-3-carboxylateethyldirazepateDirazepate d'ethyleDirazepato de etiloethyl 7-chloro-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1h-1,4-benzodiazepine-3-carboxylateCM-7101UNII-74FAA305EW
Show more names
Ethyl 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepine-3-carboxylateEthyl 7-chloro-5-(o-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazep ine-3-carboxylate.7-Chloro-5-(o-chlorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepine-3-carboxylic acid ethyl ester1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-5-(2-chlorophenyl)-2,3-dihydro-2-oxo-, ethyl ester
Oprea1_762566orb1706194SCHEMBL1004103CHEMBL2106231(+/-)-ETHYL DIRAZEPATEDTXSID10865127YAA98014ETHYL DIRAZEPATE, (+/-)-
Database identifiers
- CAS
23980-14-5- PubChem CID
- 208941
- DTXSID
DTXSID10865127- ChEMBL
CHEMBL2106231- UNII
- 74FAA305EW
- Nikkaji
- J20.305J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- Boiling point
- 532.7 · 532.7±50.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 10.6 · 10.60±0.70(Predicted)
- FDA UNII
- 74 FAA305EW · 74FAA305EW
Chemistry & industry
Applications
UsesEthyl dirazepate is a agent which is a benzodiazepine derivative. It has anxiolytic and possibly other characteristic benzodiazepine properties.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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