144690-92-6 (三苯甲基奥美沙坦酯,Tritylolmesartan medoxomil)

CAS号:
144690-92-6
中文名称:
三苯甲基奥美沙坦酯
英文名称:
Tritylolmesartan medoxomil
分子式:
C48H44N6O6
分子量:
800.899571418762

三苯甲基奥美沙坦酯(144690-92-6)名称与标识符

名称

中文别名:
三苯甲基奥美沙坦酯;三苯甲基奥美沙坦;N1三苯奥美沙坦酯;三苯基甲基奥美沙坦酯;奥美沙坦酯杂质D;
英文别名:
Triphenyl Methyl Olmesartan;1H-Imidazole-5-carboxylic acid,4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-,(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester;Trityl Olmesartan Medoxomil;Trityl Olmesartan Medoximil (N-1);Trityl olmesartan;Trityl Olmesartan Me;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5-carboxylate;4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-;4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1H-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;Tritylolmesartan medoxomil;8591TIT360;1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester;1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (5-methyl-2-oxo-1,3-dioxo;DTXCID2085276;MFCD09954745;DB-063556;OLMESARTAN MEDOXOMIL IMPURITY, N-ALKYL IMPURITY-[USP IMPURITY];NS00008283;EC 604-437-3;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-{[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-imidazole-5-carboxylate;5-(1-Hydroxy-1-methyl-ethyl)-2-propyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid 5-methyl-2-oxo-[1,3]dioxol-4-ylmethyl ester;(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate;Q27269619;SCHEMBL1653541;UNII-8591TIT360;DTXSID70162785;SB41036;(5-Methyl-2-oxo-1,3-dioxolen-4-yl)methyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-{trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate;144690-92-6;(5-methyl-2-oxo-2H-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-({2'-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]-[1,1'-biphenyl]-4-yl}methyl)-1H-imidazole-5-carboxylate;1H-Imidazole-5-carboxylic acid, 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-(1-(triphenylmethyl)-1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester;(5-Methyl-2-oxo-1,3-dioxolen-4-yl)methyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate;Olmesartan medoxomil impurity, N-alkyl impurity-(USP);CS-0138129;AC-3500;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5-carboxylate;AKOS015896144;Olmesartan medoxomil impurity, N-alkyl impurity-[USP];OLMESARTAN MEDOXOMIL IMPURITY, N-ALKYL IMPURITY-(USP IMPURITY);(5-methyl -2-oxo-1,3-dioxolen-4-yl)methyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate;IJOPLMOXIPGJIJ-UHFFFAOYSA-N;AS-12483;N-1 Trityl Olmesartan Medoxomil;F19426;N1-Tritylolmesartan medoxomil;

标识符

MDL:
MFCD09954745
InChIKey:
IJOPLMOXIPGJIJ-UHFFFAOYSA-N
Inchi:
1S/C48H44N6O6/c1-5-17-41-49-43(47(3,4)57)42(45(55)58-31-40-32(2)59-46(56)60-40)53(41)30-33-26-28-34(29-27-33)38-24-15-16-25-39(38)44-50-51-52-54(44)48(35-18-9-6-10-19-35,36-20-11-7-12-21-36)37-22-13-8-14-23-37/h6-16,18-29,57H,5,17,30-31H2,1-4H3
SMILES:
OC(C)(C)C1=C(C(=O)OCC2=C(C)OC(=O)O2)N(CC2C=CC(=CC=2)C2=CC=CC=C2C2=NN=NN2C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C(CCC)=N1

三苯甲基奥美沙坦酯(144690-92-6)物化性质

实验特性

  • LogP : 8.35270
  • PSA : 143.48000
  • 折射率 : 1.648
  • 沸点 : 960°C at 760 mmHg
  • 熔点 : 108-114°C
  • 闪点 : 534.4 °C
  • 颜色与性状 : 灰白色至白色粉末
  • 密度 : 1.26

计算特性

  • 精确分子量 : 802.34800
  • 氢键供体数量 : 1
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 15
  • 同位素质量 : 800.332
  • 重原子数量 : 60
  • 复杂度 : 1420
  • 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) : 8.7
  • 拓扑分子极性表面积 : 144

三苯甲基奥美沙坦酯(144690-92-6)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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三苯甲基奥美沙坦酯(144690-92-6)参考资料

Reaxys RN:
PubChem CID: