Ro5-4864

Molecular structure via molpic based on CDK

Conformer []
Conformer structure via JSmol

Physical properties []
Molecular mass	319.2 g/mol [1]
Solubility	>47.9 [ug/mL] (The mean of the results at pH 7.4) [1]
Predicted LogP	3.8 [1]

Structural Identifiers []
Molecular formula	C16H12Cl2N2O [1]
IUPAC name	7-chloro-5-(4-chlorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one [1]
SMILES	CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl [1]
InChI	InChI=1S/C16H12Cl2N2O/c1-20-14-7-6-12(18)8-13(14)16(19-9-15(20)21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3 [1]
InChIKey	PUMYFTJOWAJIKF-UHFFFAOYSA-N [1]

4'-Chlorodiazepam

4'-Chlorodiazepam (also known as Chlordiazepam, 4-Chlorodiazepam, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-, Ro 5-4864, Ro-05-4864, 5-24-04-00337, 7-Chloro-1,3-dihydro-1-methyl-5-(p-chlorophenyl)-2H-1,4-benzodiazepin-2-one, 7-Chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(p-chlorophenyl)-1,3-dihydro-1-methyl- or 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-methyl-(9CI)) is a substance of the benzodiazepine class.

Chemistry