139481-44-0 (阿齐沙坦中间体B,Azilsartan impurity B)

CAS号:
139481-44-0
中文名称:
阿齐沙坦中间体B
英文名称:
Azilsartan impurity B
分子式:
C25H21N3O3
分子量:
411.452545881271

阿齐沙坦中间体B(139481-44-0)名称与标识符

名称

中文别名:
1-[(2'-氰基联苯-4-基)甲基]-2-乙氧基-1H-苯并咪唑-7-甲酸甲酯;1 -[(2'-氰基联苯-4-基)甲基] -2-乙氧基-1H-苯并咪唑-7-羧酸甲酯;1-[(2''-氰基联苯-4-基)甲基]-2-乙氧基-1H-苯并咪唑-7-甲酸甲酯;1-[(2-氰基联苯-4-基)甲基]-2-乙氧基-1H-苯并咪唑-7-甲酸甲酯;阿齐沙坦杂质1;阿齐沙坦杂质F;阿齐沙坦中间体;阿齐沙坦中间体甲酯c6;坎地、阿齐沙坦中间体甲酯C6;坎地环合物(甲酯);坎地沙坦酯C6;坎地沙坦酯每阿奇沙坦中间体;坎地沙坦酯中间体;坎地沙坦酯中间体(甲酯C6) ;坎地沙坦酯中间体C6甲酯;坎地沙坦酯中间体甲酯C6;坎地沙坦中间体;1-[(2’-氰基联苯-4-基)甲基]-2-乙氧基-1H-苯并咪唑-7-甲酸甲酯;阿齐沙坦杂质S;
英文别名:
Methyl 1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;1H-BENZIMIDAZOLE-7-CARBOXYLICACID, 1-[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]-2-ETHOXY-METHYLESTER;1-(2-cyanobiphenyl-4-yl-methyl)- 2-ethoxybenzimidazole-7-carboxylic acid ethyl ester;1-[(2'-Cyano-1,1'-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylic Acid Methyl Ester;Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate;Methyl1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-benzimidazole-7-carboxylate;methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylate;3-[(2'-Cyanobiphenyl-4-yl)methyl]-2-ethoxy-3H-benzimidazole-4-carboxylic acidmethyl ester;Methyl1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate;1-[(2'-Cyano-1,1'-biphenyl-4-yl)methyl]-2-ethoxy-7-benzimidazolecarboxylicacid methyl ester;Methyl 1-[(2'-Cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate;methyl 3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-benzimidazole-4-carboxylate;METHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-E;methyl 1-((2'-cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate;KSXLHOFDCDKQLH-UHFFFAOYSA-N;methyl 1-(2'-cyanobiphenyl-4-yl)methyl-2-ethoxybenzimidazole-7-carboxylate;BCP22836;DS-18467;MFCD09031384;Methyl 1-((2'-cyanobiphenyl-4-yl) methyl)-2-ethoxy-1H-benzimidazole-7-carboxylate;FT-0659426;NS00001069;Methyl 1-[(2'-Cyano-[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;1-[(2'-Cyano-1,1'-biphenyl-4-yl)methyl]-2-ethoxy-d5-7-benzimidazolecarboxylicAcidMethylEster;AKOS015896142;Methyl 1-((2'-cyanobiphenyl-4-yl)methyl)-2-ethoxy-1H-benzimidazole-7-carboxylate;EC 604-137-2;1H-Benzimidazole-7-carboxylic acid, 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-, methyl ester;methyl 1-[(2'-cyanobiphenyl-4-yl)-methyl]-2-ethoxybenzimidazole-7-carboxylate;DTXSID80576394;Methyl 1[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-benzimidazole-7-carboxylate;Methyl-1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate;1H-Benzimidazole-7-carboxylicacid,1-[(2 inverted exclamation mark -cyano[1,1 inverted exclamation mark -biphenyl]-4-yl)methyl]-2-ethoxy-,methyl ester;Methyl 1-((2'-cyano-[1 pound not1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;CS-0151435;AC-7777;methyl 1-({2'-cyano-[1,1'-biphenyl]-4-yl}methyl)-2-ethoxy-1H-1,3-benzodiazole-7-carboxylate;CX1031;Methyl 1-[(2'-cyanobiphenyl-4-yl]methyl]-2-ethoxybenzimidazole-7-carboxylate;SCHEMBL3976108;AM20120674;A807544;3-(2'-Cyano-biphenyl-4-ylmethyl)-2-ethoxy-3H-benzoimidazole-4-carboxylic acid methyl ester;Methyl1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;M3197;1-[[2'-cyano-biphenyl-4-yl] methyl]-2-ethoxy-1h-benzimidazole-7-carboxylate methyl ester;Methyl 1-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-2-ethoxy-1H-benzimidazole-7-carboxylate;3-[[4-(2-cyanophenyl)phenyl]methyl]-2-ethoxy-4-benzimidazolecarboxylic acid methyl ester;Methyl 1-[(2'-cyanobiphenyl-4-yl)methyl]-2-ethoxy-benzimidazole-7-carboxylate;3-[(2'-Cyanobiphenyl-4-yl)methyl]-2-ethoxy-3H-benzimidazole-4-carboxylic Acid Methyl Ester; Methyl 1-[(2'-Cyanobiphenyl-4-yl)methyl]-2-ethoxybenzimidazole-7-carboxylate;METHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE;DB-010917;Methyl 1-((2\\'-cyano-[1,1\\'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate;METHYL 3-({2'-CYANO-[1,1'-BIPHENYL]-4-YL}METHYL)-2-ETHOXY-1,3-BENZODIAZOLE-4-CARBOXYLATE;

标识符

MDL:
MFCD09031384
InChIKey:
KSXLHOFDCDKQLH-UHFFFAOYSA-N
Inchi:
1S/C25H21N3O3/c1-3-31-25-27-22-10-6-9-21(24(29)30-2)23(22)28(25)16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14H,3,16H2,1-2H3
SMILES:
O(CC)C1=NC2C=CC=C(C(=O)OC)C=2N1CC1C=CC(C2C=CC=CC=2C#N)=CC=1

阿齐沙坦中间体B(139481-44-0)物化性质

实验特性

  • LogP : 4.80858
  • PSA : 77.14000
  • 折射率 : 1.619
  • 沸点 : 630.4°C at 760 mmHg
  • 闪点 : 335.064 ºC
  • 颜色与性状 : Powder
  • 密度 : 1.205

计算特性

  • 精确分子量 : 411.15800
  • 氢键供体数量 : 0
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 7
  • 同位素质量 : 411.15829154g/mol
  • 重原子数量 : 31
  • 复杂度 : 654
  • 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) : 4.9
  • 拓扑分子极性表面积 : 77.1

阿齐沙坦中间体B(139481-44-0)安全信息

阿齐沙坦中间体B(139481-44-0)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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阿齐沙坦中间体B(139481-44-0)谱图信息

1H NMR300 MHzDMSO
1H NMR
13C NMR
13C NMR