4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanamide

• ChemBase编号: 171538
• 分子式: C20H21N3O
• 平均质量: 319.40024
• 单一同位素质量: 319.16846231
• SMILES: C(C(C(=O)N)(c1ccccc1)c1ccccc1)Cn1ccnc1C
• Canonical SMILES: NC(=O)C(c1ccccc1)(c1ccccc1)CCn1ccnc1C
• InChI: InChI=1S/C20H21N3O/c1-16-22-13-15-23(16)14-12-20(19(21)24,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15H,12,14H2,1H3,(H2,21,24)
• InChIKey: SQKXYSGRELMAAU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2-methyl-1H-imidazol-1-yl)-2,2-diphenylbutanamide
• IUPAC传统名: imidafenacin
• 别名: 2-Methyl-α,α-diphenyl-1H-imidazole-1-butanamide; 4-(2-Methyl-1-imidazolyl)-2,2-diphenylbutanamide; 4-(2-Methyl-1H-imidazol-1-yl)-2,2-diphenylbutanamide; KRP 197; ONO 8025; Staybla; Uritos; Imidafenacin; 4-(2-methyl-1h-imidazol-1-yl)-2,2-diphenylbutanamide

登记号

• CAS号: 170105-16-5
• PubChem SID: 164227448
• PubChem CID: 6433090

理论计算性质

• Acid pKa: 16.11392
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 1.7519695
• LogD (pH = 7.4): 2.5198944
• Log P: 2.7648396
• 摩尔折射率: 94.8564 cm^3
• 极化性: 36.678013 Å^3
• 极化表面积: 60.91 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: White Solid
• 熔点: 184-187°C

安全信息

• 保存条件: Refrigerator

产品相关信息

• 纯度: 97%

详细说明

Toronto Research Chemicals - I275010

A novel therapeutic agent for overactive bladder with antimuscarinic activity, on mediator release from urothelium and detrusor overactivity induced by cerebral infarction. A muscarinic antagonist.

参考文献

• Andersson, K., et al.: Eur. Urol., 43, 1 (2003)
• Kullmann, F., et al.: J. Neurosci., 28, 1977 (2003)
• Wang, X., et al.: Biomed. Res. 29, 105 (2003)