(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 4-(2-methoxypropan-2-yl)-2-propyl-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazole-5-carboxylate

• ChemBase编号: 175871
• 分子式: C30H32N6O6
• 平均质量: 572.61168
• 单一同位素质量: 572.23833277
• SMILES: c1(ccccc1c1n[nH]nn1)c1ccc(cc1)Cn1c(nc(c1C(=O)OCc1oc(=O)oc1C)C(C)(C)OC)CCC
• Canonical SMILES: CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1)C(=O)OCc1oc(=O)oc1C)C(OC)(C)C
• InChI: InChI=1S/C30H32N6O6/c1-6-9-24-31-26(30(3,4)39-5)25(28(37)40-17-23-18(2)41-29(38)42-23)36(24)16-19-12-14-20(15-13-19)21-10-7-8-11-22(21)27-32-34-35-33-27/h7-8,10-15H,6,9,16-17H2,1-5H3,(H,32,33,34,35)
• InChIKey: QGIZVTPMZFDUJS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 4-(2-methoxypropan-2-yl)-2-propyl-1-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-1H-imidazole-5-carboxylate
• IUPAC传统名: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-methoxypropan-2-yl)-2-propyl-3-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)imidazole-4-carboxylate
• 别名: 4-(1-Methoxy-1-methylethyl)-2-propyl-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic Acid (5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl Ester; Olmesartan Medoxomil Methyl Ether

登记号

• CAS号: 896419-17-3
• PubChem SID: 164231781
• PubChem CID: 57758772

理论计算性质

• Acid pKa: 7.399751
• 质子受体: 8
• 质子供体: 1
• LogD (pH = 5.5): 6.102188
• LogD (pH = 7.4): 5.8292103
• Log P: 6.118408
• 摩尔折射率: 168.2096 cm^3
• 极化性: 60.57012 Å^3
• 极化表面积: 143.34 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - O550015

Impurity of Olmesartan Medoxomil