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

• ChemBase编号: 165676
• 分子式: C48H42N6O5
• 平均质量: 782.88428
• 单一同位素质量: 782.32166847
• SMILES: c1(ccccc1c1nn(nn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)Cn1c(nc(c1C(=O)OCc1oc(=O)oc1C)C(=C)C)CCC
• Canonical SMILES: CCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1oc(=O)oc1C)C(=C)C
• InChI: InChI=1S/C48H42N6O5/c1-5-17-42-49-43(32(2)3)44(46(55)57-31-41-33(4)58-47(56)59-41)53(42)30-34-26-28-35(29-27-34)39-24-15-16-25-40(39)45-50-52-54(51-45)48(36-18-9-6-10-19-36,37-20-11-7-12-21-37)38-22-13-8-14-23-38/h6-16,18-29H,2,5,17,30-31H2,1,3-4H3
• InChIKey: OPRGMKGGRYFIOA-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-(prop-1-en-2-yl)-2-propyl-1-[(4-{2-[2-(triphenylmethyl)-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-(prop-1-en-2-yl)-2-propyl-3-[(4-{2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl}phenyl)methyl]imidazole-4-carboxylate
• 别名: 4-(1-Methylethenyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-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; Dehydro Olmesartan-2-trityl Medoxomil

登记号

• PubChem SID: 162259809
• PubChem CID: 71315330

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 12.178115
• LogD (pH = 7.4): 12.193813
• Log P: 12.194017
• 摩尔折射率: 251.82 cm^3
• 极化性: 88.41583 Å^3
• 极化表面积: 123.25 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - D229970

Dehydro Olmesartan Medoxomil-2-trityl is an impurity of Olmesartan Medoxomil (O550000).