N2-Trityl Olmesartan Acid (HCID 10699800)

基本情報

標準SMILES: CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
InChIKey: ITUFJDFACFQQAZ-UHFFFAOYSA-N
分子式: C43H40N6O3
平均分子量: 688.8 g/mol
単同位体質量: 688.31618916

名称と識別子

優先名称: N2-Trityl Olmesartan Acid
IUPAC: 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid

名称と別名

752179-89-8N2-Trityl Olmesartan AcidOlmesartan Impurity 714-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5-carboxylic acid5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-; 4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic Acid (N2-Tritylolmesartan)SCHEMBL9919774-(2-Hydroxy-2-propanyl)-2-propyl-1-{[2'-(2-trityl-2H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylic acid

データベース識別子

PubChem CID: 10699800
Nikkaji: J3.450.990E

物性

構造計算による物性

XLogP: 8.7
極性表面積: 119 Å²
水素結合供与体数: 2
水素結合受容体数: 7
回転可能結合数: 12
重原子数: 52
形式電荷: 0
複雑度: 1,080

化合物ノート

読み込み中…