7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine hydrochloride

• ChemBase ID: 172511
• Molecular Formular: C16H16Cl2N2
• Molecular Mass: 307.21764
• Monoisotopic Mass: 306.06905388
• SMILES: Cl.c1c(cc2c(c1)N(CCN=C2c1ccccc1)C)Cl
• Canonical SMILES: Clc1ccc2c(c1)C(=NCCN2C)c1ccccc1.Cl
• InChI: InChI=1S/C16H15ClN2.ClH/c1-19-10-9-18-16(12-5-3-2-4-6-12)14-11-13(17)7-8-15(14)19;/h2-8,11H,9-10H2,1H3;1H
• InChIKey: XBWAZCLHZCFCGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine hydrochloride
• IUPAC Traditional name: narsis hydrochloride
• Synonyms: 7-Chloro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepine Hydrochloride; 7-Chloro-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepine Monohydrochloride (8CI,9CI); Ansius; Diepin; Elbrus; Esmail; Medazepam hydrochloride; Medazepol; Megasedan; Mezepan; RB 252; Ro 5-4556; S 804; Medazepam Hydrochloride

Database IDs

• CAS Number: 2898-11-5
• PubChem SID: 164228421
• PubChem CID: 12207008

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8812696
• LogD (pH = 7.4): 2.0624206
• Log P: 4.2095
• Molar Refractivity: 80.8517 cm^3
• Polarizability: 30.258974 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M203150

Medazepam is an anxiolytic. This is a controlled substance (depressant).

REFERENCES

• Inaba, S., et al.: Chem. Pharm. Bull., 20, 1628 (1972)
• Matthews, W.D., et al.: J. Pharmacol. Exp. Therap., 201, 613 (1972)
• Stumpf, C., et al.: Anaesthesist, 28, 3 (1972)