748812-53-5 (厄贝沙坦杂质A,1-(1-Oxopentyl)amino-N-2'-(2H-tetrazol-5-yl)1,1'-biphenyl-4-ylmethyl-cyclopentanecarboxamide)

CAS号:
748812-53-5
中文名称:
厄贝沙坦杂质A
英文名称:
1-(1-Oxopentyl)amino-N-2'-(2H-tetrazol-5-yl)1,1'-biphenyl-4-ylmethyl-cyclopentanecarboxamide
分子式:
C25H30N6O2
分子量:
446.544704914093

厄贝沙坦杂质A(748812-53-5)名称与标识符

名称

中文别名:
厄贝沙坦杂质A;2,3,4-O-三乙酰基-A-D-溴代木糖;厄贝沙坦;厄贝沙坦相关化合物 A;厄贝沙坦相关物质A USP标准品;伊贝沙坦杂质A;依贝沙坦杂质A(EP) 标准品;厄贝沙坦相关物质A;
英文别名:
Irbesartan Related Compound A;1-[(1-Oxopentyl)amino]-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-cyclopentanecarboxamide;1-pentanoylaMino-cyclopentanecarboxylic acid [2'-(1H-tetrazol-5-yl)-biphenyl-4-ylMethyl]-aMide;IRBESARTAN RELATED COMPOUND A(1-PENTANOYLAMINO-CYCLOPENTANECARBOXYLIC ACID [2'-(1H-TETRAZOL-5-YL)-BIPHENYL-4-YLMETHYL]-AMIDE);SC1287;1-[(1-Oxopentyl)amino]-N-[[2′-(2H-tetrazol-5-yl)[1,1′-biphenyl]-4-yl]methyl]cyclopentanecarboxamide;Irbesartan metabolite SR49498;1-PENTANAMIDO-N-{[2'-(2H-1,2,3,4-TETRAZOL-5-YL)-[1,1'-BIPHENYL]-4-YL]METHYL}CYCLOPENTANE-1-CARBOXAMIDE;UNII-VC4PBS252C;SCHEMBL3373560;VC4PBS252C;Irbesartan specified impurity A [EP];1-(pentanoylamino)-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]cyclopentane-1-carboxamide;1-(Pentanoylamino)-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)cyclopentanecarboxamide;748812-53-5;Q27291756;SR 49498;AS-75195;N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1-pentanamidocyclopentanecarboxamide;Cyclopentanecarboxamide, 1-((1-oxopentyl)amino)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-;SR-49498;SR49498;DTXSID50225862;n-((2'-(1h-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1-pentanamidocyclopentane-1-carboxamide;AKOS037647896;1-(Pentanoylamino)-N-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]cyclopentanecarboxamide;CHEBI:177458;NS00010568;Irbesartan impurity A, European Pharmacopoeia (EP) Reference Standard;SR-49498;IRBESARTAN IMPURITY A [EP IMPURITY];1-(pentanoylamino)-N-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}cyclopentanecarboxamide;DTXCID80148353;STL450925;Irbesartan EP Impurity A/ Irbesartan Related Compound A;N-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1-pentanamidocyclopentanecarboxamide;IRBESARTAN IMPURITY A (EP IMPURITY);Irbesartan specified impurity A;

标识符

MDL:
MFCD22380598
InChIKey:
PAKGYCNZUGIDHV-UHFFFAOYSA-N
Inchi:
1S/C25H30N6O2/c1-2-3-10-22(32)27-25(15-6-7-16-25)24(33)26-17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-28-30-31-29-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)
SMILES:
O=C(C1(CCCC1)NC(CCCC)=O)NCC1C=CC(C2=CC=CC=C2C2N=NNN=2)=CC=1

厄贝沙坦杂质A(748812-53-5)物化性质

实验特性

  • LogP : 5.44970
  • PSA : 119.64000
  • 密度 : 1.26

计算特性

  • 精确分子量 : 446.24300
  • 氢键供体数量 : 3
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 11
  • 同位素质量 : 446.24302422g/mol
  • 重原子数量 : 33
  • 复杂度 : 645
  • 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) : 3.6
  • 拓扑分子极性表面积 : 113Ų

厄贝沙坦杂质A(748812-53-5)参考资料

Reaxys RN:
PubChem CID: