1-methylpiperidin-4-yl 2,2-diphenyl-2-propoxyacetate hydrochloride

• ChemBase编号: 177007
• 分子式: C23H30ClNO3
• 平均质量: 403.9422
• 单一同位素质量: 403.19142151
• SMILES: C1N(CCC(C1)OC(=O)C(OCCC)(c1ccccc1)c1ccccc1)C.Cl
• Canonical SMILES: CCCOC(c1ccccc1)(c1ccccc1)C(=O)OC1CCN(CC1)C.Cl
• InChI: InChI=1S/C23H29NO3.ClH/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21;/h4-13,21H,3,14-18H2,1-2H3;1H
• InChIKey: KFUJMHHNLGCTIJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-methylpiperidin-4-yl 2,2-diphenyl-2-propoxyacetate hydrochloride
• IUPAC传统名: propiverine hydrochloride hydrochloride
• 别名: α-Phenyl-α-propoxybenzeneacetic Acid 1-Methyl-4-piperidinyl Ester Hydrochloride; Diphenylpropoxyacetic acid 1-Methyl-4-piperidyl Ester Hydrochloride; Mictonetten; Mictonorm; P 4; Pollarine; Propiverine Hydrochloride

登记号

• CAS号: 54556-98-8
• PubChem SID: 164232917
• PubChem CID: 441412

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.2171654
• LogD (pH = 7.4): 2.9181173
• Log P: 4.252704
• 摩尔折射率: 107.7261 cm^3
• 极化性: 42.432533 Å^3
• 极化表面积: 38.77 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; DMSO; Methanol
• 外观: White to Off-White Solid
• 熔点: 215-217°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - P828000

Propiverine is used in treatment of urinary incontinence. Propiverine is an anticholinergic.

参考文献

• Yamashita, K., et al.: J. Toxicol. Sci., 14, 1 (1989)
• Haruno, A., et al.: Arzneim.-Forsch., 42, 815 (1989)
• Muller, C., et al.: Eur. Drug. Metab. Pharmacokinet., 18, 265 (1989)
• Mazur, D., et al.: Urologe, A33,447 (1989)