721401-53-2 (利伐沙班杂质G,Decarbonyl Rivaroxaban)

CAS号:
721401-53-2
中文名称:
利伐沙班杂质G
英文名称:
Decarbonyl Rivaroxaban
分子式:
C18H20ClN3O4S
分子量:
409.887102127075

利伐沙班杂质G(721401-53-2)名称与标识符

名称

中文别名:
5-氯-N-[(2R)-2-羟基-3-[[4-(3-氧-4-吗啉基)苯基]氨基]丙基]-2-噻吩甲酰胺;利伐沙班杂质;利伐沙班杂质G;
英文别名:
Decarbonyl Rivaroxaban;(R)-5-Chloro-N-(2-hydroxy-3-((4-(3-oxomorpholino)phenyl)amino)propyl)thiophene-2-carboxamide;5-Chloro-N-((2R)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}-propyl)-2-thiophenecarboxamide;5-chloro-N-[(2R)-2-hydroxy-3-{[4-(3-oxomorpholin-4-yl)phenyl]amino}propyl]thiophene-2-carboxamide;5-chlorothiophene-2-carboxylic acid {(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]-propyl}amide;5-chlorothiophene-2-carboxylic acid-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]-propyl}amide;OKMRQXXUAFSBCM-CQSZACIVSA-N;5-chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxomorpholin-4-yl)phenyl]amino]propyl]thiophene-2-carboxamide;5-chlorothiophen-2-carboxylic acid-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]propyl}amide;5-Chloro-N-((2R)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)-phenyl]amino}propyl)-2-thiophenecarboxamide;N-{(R)-2-hydroxy-3-[4-(3-oxo;Rivaroxaban Descarbonyl Impurity;N-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]propyl}-5-chlorothiophene-2-carboxamide;N-{(R)-2-Hydroxy-3-[4-(3-oxomorpholin-4-yl)phenylamino]propyl}-5-chloro-thiophene-2-carboxamide;Decarbonyl Rivaroxaban; Rivaroxa;5-chloro-N-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide;5-Chloro-N-((2R)-2-hydr;5-Chloro-N-[(2R)-2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)phenyl]amino}propyl]-2-thiophenecarboxamide;5-Chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-2-thiophenecarboxamide;PY38UZ4F3D;2-ThiophenecarboxaMide, 5-chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-Morpholinyl)phenyl]aMino]propyl]-;5-Chloro-thiophene-2-carboxylic acid {(R)-2-hydroxy-3-[4-(3-oxo-morpholin-4-yl)-phenylamino]-propyl}-amide;SCHEMBL2233431;AKOS030632906;MFCD26227280;C76299;N-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)-phenylamino]propyl}-5-chlorothiophene-2-carboxamide;C18H20ClN3O4S;721401-53-2;Rivaroxaban Impurity G;5-Chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-2-thiophencarboxamide; 5-Chloro-N-[(2R)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-2-thiophenecarboxamide;BS-17471;N-{(R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl) phenylamino]propyl}-5-chlorothiophene-2-carboxamide;WDB40153;

标识符

MDL:
MFCD26227280
InChIKey:
OKMRQXXUAFSBCM-CQSZACIVSA-N
Inchi:
1S/C18H20ClN3O4S/c19-16-6-5-15(27-16)18(25)21-10-14(23)9-20-12-1-3-13(4-2-12)22-7-8-26-11-17(22)24/h1-6,14,20,23H,7-11H2,(H,21,25)/t14-/m1/s1
SMILES:
ClC1=CC=C(C(N([H])C[C@@H](CN([H])C2C=CC(=CC=2)N2C(COCC2)=O)O)=O)S1

利伐沙班杂质G(721401-53-2)物化性质

实验特性

  • LogP : 2.49640
  • PSA : 119.14000

计算特性

  • 精确分子量 : 409.08600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 7
  • 同位素质量 : 409.086305g/mol
  • 重原子数量 : 27
  • 复杂度 : 519
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 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) : 2.8
  • 拓扑分子极性表面积 : 119
  • 分子量 : 409.9g/mol

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