3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide

• ChemBase编号: 129104
• 分子式: C22H28BrN
• 平均质量: 386.36842
• 单一同位素质量: 385.1405119
• SMILES: CC[N+]1(CC)CC/C(=C(/c2ccccc2)\c2ccccc2)/C1C.[Br-]
• Canonical SMILES: CC[N+]1(CC)CC/C(=C(/c2ccccc2)\c2ccccc2)/C1C.[Br-]
• InChI: InChI=1S/C22H28N.BrH/c1-4-23(5-2)17-16-21(18(23)3)22(19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
• InChIKey: UCGJZJXOPSNTGZ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
• IUPAC传统名: 3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidin-1-ium bromide
• 别名: Prifinium bromide; 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium Bromide; 3-(Diphenylmethylene)-1-ethyl-2-methylpyrrolidine Ethyl Bromide; Padrin; Pyrodifenium Bromide; Riabal

登记号

• CAS号: 4630-95-9
• PubChem SID: 162223403
• PubChem CID: 20749
• ATC码: A03AB18
• CHEMBL: 1213353
• Chemspider ID: 19537
• 美国药典/FDA物质标识码: 3B7O9ZC520
• 维基百科标题: Prifinium_bromide

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.6954395
• LogD (pH = 7.4): 0.6954395
• Log P: 0.6954395
• 摩尔折射率: 120.852 cm^3
• 极化性: 39.031498 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - P717500

Prifinium Bromide is a synthetic antispasmodic drug; parasympatholytic. Prifinium Bromide is used as a quartenary anticholinergic agent.

参考文献

• Kumada, S. et al.: Arzneim.-Forsch., 20, 237 (1970)
• Nakai, T. et al.: Arzneim.-Forsch., 20, 1112 (1970)
• Bettini, V. et al.: Farm. Ed. Prat., 33, 392 (1970)