1632463-24-1 (Rivaroxaban Dimer Impurity,Rivaroxaban Pseudodimer)

CAS号:
1632463-24-1
中文名称:
Rivaroxaban Dimer Impurity
英文名称:
Rivaroxaban Pseudodimer
分子式:
C38H36Cl2N6O10S2
分子量:
871.762644767761

Rivaroxaban Dimer Impurity(1632463-24-1)名称与标识符

名称

英文别名:
Rivaroxaban Impurity 9;Rivaroxaban Dimer Impurity;Rivaroxaban Pseudodimer;ethyl]thiophene-2-carboxamide;5-CHLORO-N-(4-((S)-5-((5-CHLOROTHIOPHENE-2-CARBOXAMIDO)METHYL)-2-OXOOXAZOLIDIN-3-YL)PHENYL)-N-(2-(2-OXO-2-((((S)-2-OXO-3-(4-(3-OXOMORPHOLINO)PHENYL)OXAZOLIDIN-5-YL)METHYL)AMINO)ETHOXY)ETHYL)THIOPHENE-2-CARBOXAMIDE;5-chloro-N-[[(5S)-3-[4-[(5-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]m;UNII-BRX9RYC4YB;RIVAROXABAN IMPURITY J [EP IMPURITY];BRX9RYC4YB;5-Chloro-N-(4-((5S)-5-((((5-chloro-2-thienyl)carbonyl)amino)methyl)-2-oxo-3-oxazolidinyl)phenyl)-N-(2-(2-oxo-2-((((5S)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-5-oxazolidinyl)methyl)amino)ethoxy)ethyl)-2-thiophenecarboxamide;Rivaroxaban impurity J [EP];F19394;5-Chloro-N-[4-[(5S)-5-[[[(5-chloro-2-thienyl)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]phenyl]-N-[2-[2-oxo-2-[[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]amino]ethoxy]ethyl]-2-Thiophenecarboxamide,;2-Thiophenecarboxamide, 5-chloro-N-[4-[(5S)-5-[[[(5-chloro-2-thienyl)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]phenyl]-N-[2-[2-oxo-2-[[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]amino]ethoxy]ethyl]-;1632463-24-1;5-Chloro-N-[[(5S)-3-[4-[(5-chlorothiophene-2-carbonyl)-[2-[2-oxo-2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methylamino]ethoxy]ethyl]amino]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide;5-Chloro-N-[4-[(5S)-5-[[[(5-chloro-2-thienyl)carbonyl]amino]methyl]-2-oxo-3-oxazolidinyl]phenyl]-N-[2-[2-oxo-2-[[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]amino]ethoxy]ethyl]-2-thiophenecarboxamide;2-Thiophenecarboxamide, 5-chloro-N-(4-((5S)-5-((((5-chloro-2-thienyl)carbonyl)amino)methyl)-2-oxo-3-oxazolidinyl)phenyl)-N-(2-(2-oxo-2-((((5S)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-5-oxazolidinyl)methyl)amino)ethoxy)ethyl)-;

标识符

InChIKey:
CYLLZCQTBKRWBP-NSOVKSMOSA-N
Inchi:
1S/C38H36Cl2N6O10S2/c39-31-11-9-29(57-31)35(49)42-18-28-20-46(38(52)56-28)26-7-3-24(4-8-26)44(36(50)30-10-12-32(40)58-30)14-16-53-21-33(47)41-17-27-19-45(37(51)55-27)25-5-1-23(2-6-25)43-13-15-54-22-34(43)48/h1-12,27-28H,13-22H2,(H,41,47)(H,42,49)/t27-,28-/m0/s1
SMILES:
ClC1=CC=C(C(NC[C@H]2CN(C(=O)O2)C2C=CC(=CC=2)N(C(C2=CC=C(S2)Cl)=O)CCOCC(NC[C@H]2CN(C(=O)O2)C2C=CC(=CC=2)N2C(COCC2)=O)=O)=O)S1

Rivaroxaban Dimer Impurity(1632463-24-1)物化性质

实验特性

  • 沸点 : 1111.6±65.0 °C at 760 mmHg
  • 熔点 : NA
  • 蒸气压 : 0.0±0.3 mmHg at 25°C
  • 闪点 : 626.1±34.3 °C
  • 密度 : 1.5±0.1 g/cm3

计算特性

  • 精确分子量 : 870.131139g/mol
  • 氢键供体数量 : 2
  • 氢键受体数量 : 12
  • 可旋转化学键数量 : 15
  • 同位素质量 : 870.131139g/mol
  • 重原子数量 : 58
  • 复杂度 : 1510
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 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) : 5
  • 拓扑分子极性表面积 : 233
  • 分子量 : 871.8g/mol

Rivaroxaban Dimer Impurity(1632463-24-1)安全信息

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Rivaroxaban Dimer Impurity(1632463-24-1)参考资料

Reaxys RN:
PubChem CID: