3-(2H5)ethyl-N-(2-{4-[({[4-(hydroxymethyl)cyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide

• ChemBase编号: 170612
• 分子式: C24H34N4O6S
• 平均质量: 506.61496
• 单一同位素质量: 506.21990583
• SMILES: c1(ccc(cc1)S(=O)(=O)NC(=O)NC1CCC(CC1)CO)CCNC(=O)N1CC(=C(C1=O)CC)C
• Canonical SMILES: OCC1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(cc1)CCNC(=O)N1CC(=C(C1=O)CC)C
• InChI: InChI=1S/C24H34N4O6S/c1-3-21-16(2)14-28(22(21)30)24(32)25-13-12-17-6-10-20(11-7-17)35(33,34)27-23(31)26-19-8-4-18(15-29)5-9-19/h6-7,10-11,18-19,29H,3-5,8-9,12-15H2,1-2H3,(H,25,32)(H2,26,27,31)
• InChIKey: YUNQMQLWOOVHKI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(^2H₅)ethyl-N-(2-{4-[({[4-(hydroxymethyl)cyclohexyl]carbamoyl}amino)sulfonyl]phenyl}ethyl)-4-methyl-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxamide
• IUPAC传统名: 3-(^2H₅)ethyl-N-{2-[4-({[4-(hydroxymethyl)cyclohexyl]carbamoyl}aminosulfonyl)phenyl]ethyl}-4-methyl-2-oxo-5H-pyrrole-1-carboxamide
• 别名: 3-Ethyl-2,5-dihydro-N-[2-[4-[[[[[trans-4-(hydroxymethyl)cyclohexyl]amino]carbonyl]amino]sulfonyl]phenyl]ethyl]-4-methyl-2-oxo-1H-pyrrole-1-carboxamide; rac trans-Hydroxy Glimepiride-d5

登记号

• PubChem SID: 164226522
• PubChem CID: 57369389

理论计算性质

• Acid pKa: 4.320178
• 质子受体: 6
• 质子供体: 4
• LogD (pH = 5.5): 0.9896135
• LogD (pH = 7.4): 0.8216612
• Log P: 1.7618096
• 摩尔折射率: 131.6559 cm^3
• 极化性: 51.380943 Å^3
• 极化表面积: 144.91 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; MeOH
• 外观: White solid
• 熔点: 199-201°C

安全信息

• 保存条件: -20°C Freezer

详细说明

Toronto Research Chemicals - H942532

An active metabolite of Glimepiride.

参考文献

• Muller, G., et al.: Diabetes, 42, 1852 (1993)
• Kramer, W., et al.: Biochem. Biophys. Acta, 119, 278 (1993)