1-(diphenylmethyl)-4-methylpiperazine hydrochloride

• ChemBase编号: 104179
• 分子式: C18H23ClN2
• 平均质量: 302.84162
• 单一同位素质量: 302.15497643
• SMILES: Cl.CN1CCN(CC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CN1CCN(CC1)C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H
• InChIKey: UKPBEPCQTDRZSE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(diphenylmethyl)-4-methylpiperazine hydrochloride
• IUPAC传统名: wellcome hydrochloride
• 别名: 1-(Diphenylmethyl)-4-methylpiperazine Hydrochloride; Marezine Hydrochloride; Marzine; N-Benzhydryl-N'-methylpiperazine Monohydrochloride; Cyclizine Hydrochloride; N-Benzhydryl-N'-methylpiperazine; 1-Diphenylmethyl-4-methylpiperazine; CYCLIZINE

登记号

• CAS号: 303-25-3
• EC号: 206-136-9
• PubChem SID: 162092777
• PubChem CID: 6420019

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.65597045
• LogD (pH = 7.4): 2.405105
• Log P: 3.5460024
• 摩尔折射率: 84.9336 cm^3
• 极化性: 33.39166 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off-White Solid
• 熔点: 291-293°C

安全信息

• 保存条件: Refrigerator; Room Temperature (15-30°C)
• RTECS编号: TL6560000

详细说明

MP Biomedicals - 02155001

(N-Benzhydryl-N'-methylpiperazine; 1-Diphenylmethyl-4-methylpiperazine) Hydrochloride

Toronto Research Chemicals - C987805

Cyclizine is a piperazine derivative with anti-emetic activity that is useful in the prevention and treatment of nausea and vomiting associated with motion sickness. Antiemetic.

参考文献

• Kuntzman, R., et al.: J. Pharmacol. Exp. Ther., 158, 332 (1967)
• Walker, R., et al.: Eur. J. Pharm. Sci., 4, 301 (1967)
• Dumasia, M., et al.: Xenobiotica, 32, 795 (1967)