Basic information
- CAS
17617-60-6- Standard SMILES
O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1O- InChIKey
FERBACJQVQVCKH-UHFFFAOYSA-N- Molecular formula
- C15H10ClFN2O2
- Average molar mass
- 304.7 g/mol
- Monoisotopic mass
- 304.0414834
Names & identifiers
- Preferred name
- N-Desalkyl-3-hydroxyflurazepam
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one
- English name
- 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2H-1,4-benzodiazepin-2-one
- Molecular formula
- C15H10ClFN2O2
- Molecular weight
- 304.7
Names & synonyms
17617-60-6HDOQRefChem:927121OX 164F7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-2h-1,4-benzodiazepin-2-oneRo 7-52052H-1,4-BENZODIAZEPIN-2-ONE, 1,3-DIHYDRO-7-CHLORO-5-(o-FLUOROPHENYL)-3-HYDROXY-CM 400952H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-7-chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-1,4-benzodiazepin-2-one1,3-Dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-2H-1,4-benzodiazepin-2-one7-Chloro-5-(2-fluorophenyl)-3-hydroxy-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Show more names
3-hydroxy-N-desalkyl-2-oxoquazepam7-Chloro-3-Hydroxy-5-(2-Ffluorophenyl)-1,3-Dihydro-2h-1,4-Benzodiazepine-2-One()-7-CHLORO-3-HYDROXY-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPINE-2-ONE(+/-)-7-Chloro-3-hydroxy-5-(2-ffluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-one
BRN 07590833-Hydroxy desalkylflurazepamCHEMBL64755orb2814687SCHEMBL7329203DTXSID50874637FC999272H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-fluorophenyl)-1,3-dihydro-3-hydroxy-
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
LogP1.81
Physicochemical properties
- Melting point
- 173 · 173-175 °C(Solv: ethanol (64-17-5))
- Boiling point
- 507.1 · 507.1±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- solubility
- 10 mg/ml · DMSO: Soluble: =10 mg/ml
- pka
- 10.76 · 10.76±0.70(Predicted)
- NIST Chemistry Reference
- 2 H-1,4-benzodiazepin-2-one, · 2H-1,4-benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(o-fluorophenyl)-3-hydroxy-(17617-60-6)
Chemistry & industry
Applications
Uses3-Hydroxy desalkylflurazepam is a benzodiazepine with potential sedative and anxiolytic effects[1].
Suppliers5 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海有集材料有限公司13052376889 13681663468 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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