Basic information
- CAS
86273-92-9- Standard SMILES
Cc1ccc(S(=O)(=O)CCN2C(=O)CN=C(c3ccccc3Cl)c3cc(Cl)ccc32)cc1- InChIKey
FFZOBTGTWSRRMB-UHFFFAOYSA-N- Molecular formula
- C24H20Cl2N2O3S
- Average molar mass
- 487.4 g/mol
- Monoisotopic mass
- 486.0571691
Overview
Tolufazepam is a small molecule drug. The usage of the INN stem '-azepam' in the name indicates that Tolufazepam is a diazepam derivative. Tolufazepam has a monoisotopic molecular weight of 486.06 Da.
Names & identifiers
- Preferred name
- 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-1-(2-((4-methylphenyl)sulfonyl)ethyl)-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-5-(2-chlorophenyl)-1-[2-(4-methylphenyl)sulfonylethyl]-3H-1,4-benzodiazepin-2-one
- English name
- Tolufazepam
- Molecular formula
- C24H20Cl2N2O3S
- Molecular weight
- 487.4
Names & synonyms
TolufazepamTolufazepamum86273-92-998SR74X50DDTXSID502354661-(4'-Methylphenylsulfonyl)ethyl-5-(2-chlorophenyl)-7-chloro-2H-1,4-benzodiazepin-2-oneRefChem:1074400DTXCID501579577-Chloro-5-(2-chlorophenyl)-1,3-dihydro-1-(2-((4-methylphenyl)sulfonyl)ethyl)-2H-1,4-benzodiazepin-2-oneTolufazepam [INN]7-chloro-5-(2-chlorophenyl)-1-[2-(4-methylphenyl)sulfonylethyl]-3H-1,4-benzodiazepin-2-oneInn Tolufazepam
Show more names
7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-1-[2-[(4-methylphenyl)sulfonyl]ethyl]-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-1-[2-[(4-methylphenyl)sulfonyl]ethyl]-
Tolufazepamum [Latin]UNII-98SR74X50DTOLUFAZEPAM [WHO-DD]SCHEMBL2109626CHEMBL21076332H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-1-(2-((4-methylphenyl)sulfonyl)ethyl)-7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-1-(2-(p-tolylsulfonyl)ethyl)-2H-1,4-benzodiazepin-2-oneNS00121299
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 805
Physicochemical properties
- Boiling point
- 731.9 · 731.9±60.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 1.37 · 1.37±0.35(Predicted)
- FDA UNII
- 98 SR74X50D · 98SR74X50D
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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