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

• ChemBase编号: 172511
• 分子式: C16H16Cl2N2
• 平均质量: 307.21764
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 7-chloro-1-methyl-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine hydrochloride
• IUPAC传统名: narsis hydrochloride
• 别名: 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

登记号

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

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.8812696
• LogD (pH = 7.4): 2.0624206
• Log P: 4.2095
• 摩尔折射率: 80.8517 cm^3
• 极化性: 30.258974 Å^3
• 极化表面积: 15.6 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M203150

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

参考文献

• 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)