Basic information
- CAS
39080-67-6- Standard SMILES
CN1C(=O)CN=C(c2c(F)cccc2F)c2cc(Cl)ccc21- InChIKey
DUNFPASORLTEGN-UHFFFAOYSA-N- Molecular formula
- C16H11ClF2N2O
- Average molar mass
- 320.72 g/mol
- Monoisotopic mass
- 320.052797
Names & identifiers
- Preferred name
- Difludiazepam
- IUPAC
- 7-chloro-5-(2,6-difluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
- English name
- 7-chloro-5-(2,6-difluorophenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-one
- Molecular formula
- C16H11ClF2N2O
- Molecular weight
- 320.72
Names & synonyms
Difludiazepam7N3B9XEC7BRO 07-40657-Chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1-methyl-RO7-4065RO-7-4065RefChem:13357939080-67-67-chloro-5-(2,6-difluorophenyl)-1-methyl-1H-benzo[e][1,4]diazepin-2(3H)-oneUNII-7N3B9XEC7BCHEMBL346673
Show more names
140884
7-chloro-5-(2,6-difluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one7-CHLORO-5-(2,6-DIFLUOROPHENYL)-1-METHYL-1,3-DIHYDRO-2H-BENZO[E][1,4]DIAZEPIN-2-ONEDTXSID001135292PBA08067BDBM50408008AKOS030530468Ro-074065Ro-07-4065
Database identifiers
- CAS
39080-67-6- PubChem CID
- 44366236
- DTXSID
DTXSID001135292- ChEMBL
CHEMBL346673- UNII
- 7N3B9XEC7B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 492.8 · 492.8±45.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- solubility
- 15 mg/mL; · DMF: 15 mg/mL; DMF:PBS(pH 7.2)(1:1): 0.5 mg/mL; DMSO: 10 mg/mL; Ethanol: 1 mg/mL
- form
- A crystalline solid
- pka
- 0.37 · 0.37±0.40(Predicted)
- FDA UNII
- 7 N3B9XEC7B · 7N3B9XEC7B
Chemistry & industry
Applications
Uses7-Chloro-5-(2,6-difluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one is a benzodiazepine related compound; a GABAA receptor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…