1020157-01-0 (N2-三苯甲基奥美沙坦酯,N-2 Trityl Olmesartan Medoxomil)

CAS号:
1020157-01-0
中文名称:
N2-三苯甲基奥美沙坦酯
英文名称:
N-2 Trityl Olmesartan Medoxomil
分子式:
C48H44N6O6
分子量:
800.899571418762

N2-三苯甲基奥美沙坦酯(1020157-01-0)名称与标识符

名称

中文别名:
N2-三苯甲基奥美沙坦酯;N2三苯奥美沙坦酯;4-(1-羟基-1-甲基乙基)-2-丙基-1-[[2'-[2-(三苯基甲基)-2H-四唑-5-基][1,1'-联苯]-4-基]甲基]-1H-咪唑-5-羧酸 (5-甲基-2-氧代-1,3-二氧杂环戊烯-4-基)甲基酯;奥美沙坦酯杂质N;N2-硝基奥美沙坦酯;
英文别名:
N2-trityl olmesartan medoxomil;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate;Trityl Olmesartan Medoxomil;KKYFOXOGKNDKRS-UHFFFAOYSA-N;Olmesartan Medoxomil EP Impurity D;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(2-trityl-2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5-carboxylate;UNII-KIU4Z454AM;1H-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)-, (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester;KIU4Z454AM;N-2 Trityl Olmesartan Medoxomil;OLMESARTAN MEDOXOMIL IMPURITY D [EP IMPURITY];Olmesartan medoxomil impurity D [EP];SCHEMBL94332;1020157-01-0;Q27282272;(5-Methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-((2'-((2-triphenylmethyl)-2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate;N2-Tritylolmesartan medoxomil;OLMESARTAN MEDOXOMIL IMPURITY D (EP IMPURITY);4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-(5-methyl-2-oxo-1,3-d ioxol-4-yl)1H-Imidazole-5-carboxylic acid methyl ester;IH139102;Olmesartan medoxomil impurity D;N-2Trityl olmesartan medoxomil;Olmesartan impurity D;5-(1-Hydroxy-1-methyl-ethyl)-2-propyl-3-[2'-(2-trityl-2H-tetrazol-5-yl)-bipheny l-4-ylmethyl]-3H-imidazole-4-carboxylic acid 5-methyl-2-oxo-[1,3]dioxol-4-ylmethyl ester;

标识符

InChIKey:
KKYFOXOGKNDKRS-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)44-50-52-54(51-44)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=C2C2N=NN(C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)N=2)C(CCC)=N1

N2-三苯甲基奥美沙坦酯(1020157-01-0)物化性质

实验特性

  • 溶解度 : Insuluble (5.0E-6 g/L) (25 ºC),
  • 密度 : 1.26±0.1 g/cm3 (20 ºC 760 Torr),

计算特性

  • 精确分子量 : 800.33223314g/mol
  • 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 : 800.33223314g/mol
  • 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) : 9.2
  • 拓扑分子极性表面积 : 144Ų

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