4-chloro-N-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide

• ChemBase编号: 170670
• 分子式: C17H18ClN3O4S
• 平均质量: 395.86052
• 单一同位素质量: 395.07065475
• SMILES: c1(ccc2c(c1)CC(N2NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)C)OC
• Canonical SMILES: COc1ccc2c(c1)CC(N2NC(=O)c1ccc(c(c1)S(=O)(=O)N)Cl)C
• InChI: InChI=1S/C17H18ClN3O4S/c1-10-7-12-8-13(25-2)4-6-15(12)21(10)20-17(22)11-3-5-14(18)16(9-11)26(19,23)24/h3-6,8-10H,7H2,1-2H3,(H,20,22)(H2,19,23,24)
• InChIKey: PHHIYQIOHDPMDF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-chloro-N-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide
• IUPAC传统名: 4-chloro-N-(5-methoxy-2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoylbenzamide
• 别名: 3-(Aminosulfonyl)-4-chloro-N-(2,3-dihydro-5-methoxy-2-methyl-1H-indol-1-yl)benzamide; 5-Hydroxy Indapamide Methyl Ether

登记号

• PubChem SID: 164226580
• PubChem CID: 71749079

理论计算性质

• Acid pKa: 8.852188
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 2.4816947
• LogD (pH = 7.4): 2.4685495
• Log P: 2.481873
• 摩尔折射率: 109.7766 cm^3
• 极化性: 38.395733 Å^3
• 极化表面积: 101.73 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Dimethyl Fomamide; Dimethyl Sulfoxide; Hot CH2Cl2/MeOH/EtOAc (1:1:1 ratio)
• 外观: Off-White Solid

安全信息

• 保存条件: Refrigerator

详细说明

Toronto Research Chemicals - H943455

5-Hydroxy Indapamide (H943450) derivative. A major metabolite of Indapamide, and possesses similar antihypertensive and diuretic properties.

参考文献

• Slater, T., et al.: Biochem. J., 222, 1 (1984)
• Josephson, R., et al.: J. Biol. Chem., 266, 2354 (1984)
• Del Rio, M., et al.: Eur. J. Pharm., 250, 133 (1984)
• Calder, J., et al.: Eur. J. Pharma., 256, 185 (1984)