ethyl 1-[(4-{2-[1-(1-{[(cyclohexyloxy)carbonyl]oxy}ethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate

• ChemBase编号: 164758
• 分子式: C35H38N6O6
• 平均质量: 638.71282
• 单一同位素质量: 638.28528297
• SMILES: c1ccc(c2c1nc(n2Cc1ccc(cc1)c1ccccc1c1nnnn1C(OC(=O)OC1CCCCC1)C)OCC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cccc2c1n(Cc1ccc(cc1)c1ccccc1c1nnnn1C(OC(=O)OC1CCCCC1)C)c(n2)OCC
• InChI: InChI=1S/C35H38N6O6/c1-4-44-33(42)29-16-11-17-30-31(29)40(34(36-30)45-5-2)22-24-18-20-25(21-19-24)27-14-9-10-15-28(27)32-37-38-39-41(32)23(3)46-35(43)47-26-12-7-6-8-13-26/h9-11,14-21,23,26H,4-8,12-13,22H2,1-3H3
• InChIKey: SJAVCSABPBKRNM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 1-[(4-{2-[1-(1-{[(cyclohexyloxy)carbonyl]oxy}ethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate
• IUPAC传统名: ethyl 3-[(4-{2-[1-(1-{[(cyclohexyloxy)carbonyl]oxy}ethyl)-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]-2-ethoxy-1,3-benzodiazole-4-carboxylate
• 别名: Ethyl-1-([2’-[1-(1-[[(Cyclohexyloxy)carbonyl]oxy]ethyl]-1H-tetrazol-5-yl]biphenyl-4-yl]methyl)-2-ethoxy-1H-benzimidazole-7-carboxylate; N-Cilexetil Candesartan Ethyl Ester

登记号

• PubChem SID: 162258893
• PubChem CID: 71314866

理论计算性质

• 质子受体: 8
• 质子供体: 0
• LogD (pH = 5.5): 8.01193
• LogD (pH = 7.4): 8.012004
• Log P: 8.012005
• 摩尔折射率: 197.3846 cm^3
• 极化性: 70.21725 Å^3
• 极化表面积: 132.48 Å^2
• 可自由旋转的化学键: 14
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - C441280

N-Cilexetil Candesartan Ethyl Ester is an impurity of Candesartan Cilexetil (C175580).

参考文献

• Chiu, A.T., et al.: Eur. J. Pharmacol., 157, 13 (1988)
• Wong, P.C., et al.: J. Pharmacol. Exp. Ther., 259, 861 (1988)