139481-58-6 (坎地沙坦酯中间体乙酯C7,Candesartan Ethyl Ester)

CAS号:
139481-58-6
中文名称:
坎地沙坦酯中间体乙酯C7
英文名称:
Candesartan Ethyl Ester
分子式:
C26H24N6O3
分子量:
468.507164955139

坎地沙坦酯中间体乙酯C7(139481-58-6)名称与标识符

名称

中文别名:
坎地沙坦酯中间体乙酯C7;2-乙氧基-1-[[2'-(1H-四氮唑-5-基)联苯-4-基]-甲基]苯并咪唑-7-羧酸乙酯;坎地沙坦乙酯;坎地沙坦酯乙酯;坎地沙坦酯杂质A(EP) 标准品;坎地沙坦酯中间体(乙酯C7) ;乙基 -2-乙氧基-1-[[(2′-(1H四zol-5-基)联苯-4-基-) 甲基];乙基 -2-乙氧基-1-[[(2'-(1H-四唑-5-基)联苯-4-基-)甲基];
英文别名:
1H-Benzimidazole-7-carboxylicacid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-, ethylester;ethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;1H-Benzimidazole-7-carboxylicacid, 2-ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]meth...;2-ETHOXY-1-[[2'-(1H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-,1H-BENZIMIDAZOLE-7-CARBOXYLIC ETHYL ESTER;Candesartan Ethyl Ester;Ethyl -2-ethoxy-1-[[(2-(1Htetrazol-5-yl)biphenyl-4-yl-) methyl];(Ethyl 1-{[2′-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-2-ethoxybenzimidazole-7-carboxylate);2-Ethoxy-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid ethyl ester;CANDESARTAN CILEXETIL IMPURITY A [EP IMPURITY];Ethyl 1-((2'-(1H -tetrazol-5-yl)biphenyl-4-yl)methyl(-2-ethoxybenzimidazole-7-carboxylate;L006258;J-007280;ethyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]methyl]benzimidazole-7-carboxylate;SCHEMBL683298;ethyl 2-ethoxy-l-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate;ethyl 1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;Ethyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazoie-7-carboxylate;BCPWNYREAURMOP-UHFFFAOYSA-N;AMY22169;AKOS015964210;UNII-8TT2Y1F36J;Ethyl candesartan;ethyl 2-ethoxy-1-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate;AC-18527;Ethyl 2-Ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate;139481-58-6;Ethyl 2-ethoxy-l-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl]benzimidazole-7-carboxylate;Q27270999;1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, ethyl ester;Candesartan cilexetil impurity A [EP];D95996;Ethyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl]benzimidazole-7-carboxylate;A1-01748;1H-Benzimidazole-7-carboxylic acid, 2-ethoxy-1-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, ethyl ester;Ethyl -2-ethoxy-1-[[(2 inverted exclamation marka-(1Htetrazol-5-yl)biphenyl-4-yl-) methyl]benzimidazole]-7-carboxylate;Candesartan Cilexetil EP Impurity A;DTXSID50161059;Ethyl-2-ethoxy-1-[[(2-(1htetrazol-5-yl)biphenyl-4-yl-)methyl];EC 642-256-1;AS-58069;(ETHYL 1-{[2'-(1H-TETRAZOL-5-YL)BIPHENYL-4-YL]METHYL-2-ETHOXYBENZIMIDAZOLE-7-CARBOXYLATE);ethyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl) biphenyl-4-yl]methyl]benzimidazole-7-carboxylate;BCP07078;ethyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate;Candesartan cilexetil specified impurity A [EP];Ethyl 2-ethoxy-1-[[2'-(1 H-tetrazol-5-yl)biphenyl-4-yl]-methyl]benzimidazole-7-carboxylate;FT-0664224;ethyl 2-ethoxy-1-{[2'-(1H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate;8TT2Y1F36J;ethyl 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-benzimidazole-7-carboxylate;ethyl1-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;NS00007715;Ethyl 1-((2'-(1H-tetrazol-5-yl)-(1,1'-biphenyl)-4-yl)methyl)-2-ethoxy-1H-benzo(d)imidazole-7-carboxylate;Ethyl 2-ethoxy-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-benzimidazole-7-carboxylate;ethyl 2-ethoxy-1-[[2'-(1 H-tetrazol-5-yl)biphenyl-4-yl]methyl]-benzimidazole-7-carboxylate;Ethyl 2-Ethoxy-1-[[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl]-1H-benzimidazole-7-carboxylate;

标识符

MDL:
MFCD00909010
InChIKey:
BCPWNYREAURMOP-UHFFFAOYSA-N
Inchi:
1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)
SMILES:
O(CC)C1=NC2C=CC=C(C(=O)OCC)C=2N1CC1C=CC(C2=CC=CC=C2C2N=NNN=2)=CC=1

坎地沙坦酯中间体乙酯C7(139481-58-6)物化性质

实验特性

  • LogP : 4.50710
  • PSA : 107.81000
  • 沸点 : 709.56 °C at 760 mmHg
  • 熔点 : 157-159°C
  • 闪点 : 382.928 °C
  • 颜色与性状 : Powder
  • 密度 : 1.33

计算特性

  • 精确分子量 : 468.19100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 9
  • 同位素质量 : 468.19098865g/mol
  • 重原子数量 : 35
  • 复杂度 : 690
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.8
  • 拓扑分子极性表面积 : 108Ų

坎地沙坦酯中间体乙酯C7(139481-58-6)安全信息

坎地沙坦酯中间体乙酯C7(139481-58-6)参考资料

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