446292-08-6 (利伐沙班杂质 9,4-4-(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinylphenyl-3-morpholinone)

CAS号:
446292-08-6
中文名称:
利伐沙班杂质 9
英文名称:
4-4-(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinylphenyl-3-morpholinone
分子式:
C22H19N3O6
分子量:
421.402765512466

利伐沙班杂质 9(446292-08-6)名称与标识符

名称

中文别名:
2-[[(5S)-2-氧代-3-[4-(3-氧代-4-吗啉基)苯基]-5-噁唑烷基]甲基]-1H-异吲哚-1,3(2H)-二酮;2-[[(5S)-2-氧代-3-[4-(3-氧代-(吗啉-4-基))苯基]-5-噁唑烷基]甲基]-1H-异吲哚-1,3(2H)-二酮;2-(甲基亚砜基)嘧啶;2-[[(5S)-2-氧代-3-[4-(3-氧代-4-吗啉基)苯基]-5-噁唑烷基]甲基]-;2-[[(5S)-2-氧代-3-[4-(3-氧代-4-吗啉基)苯基]-5-噁唑烷基]甲基]-1H-异吲哚-1,3(2H)-二酮 (利伐沙班);利伐沙班杂质9;利伐沙班中间体;利伐沙班中间体5;
英文别名:
(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;2-({(5S)-2-Oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione;4-[4-[(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinyl]phenyl]-3-morpholinone;(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)-oxazolidin-5-yl)methyl)isoindoline-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-;2-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl};2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione;KUQNYAUTIWQAKY-MRXNPFEDSA-N;2-({(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazol;Rivaroxaban Impurity 9;2-({(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-;2-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5;2-({(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-di;4-4-(5S)-5-Phthalimidomethyl-2-oxo-3-oxazolidinylphenyl-3-morpholinone;(S)-2-((2-oxo-3-(4-(3-oxomorpholino) phenyl) oxazolidin-5-yl)methyl)isoindoline-1,3-dione;2XRK8YBC47;2-([(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione;MFCD11977665;RIVAROXABAN IMPURITY G [EP IMPURITY];SCHEMBL78772;2-{[(5S)-2-OXO-3-[4-(3-OXOMORPHOLIN-4-YL)PHENYL]-1,3-OXAZOLIDIN-5-YL]METHYL}ISOINDOLE-1,3-DIONE;CS-M0563;DS-18301;446292-08-6;AMY1795;C22H19N3O6;AC-25868;2-({(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione;(S)-2-((2-oxo-3-(4-(3-oxo-morpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;(S)-2 ((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;1H-Isoindole-1,3(2H)-dione, 2-(((5S)-2-oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-5-oxazolidinyl)methyl)-;1H-Isoindole-1,3(2H)-dione, 2-[[(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-; 2-[[(5S)-2-Oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-5-oxazolidinyl]methyl]-1H-isoindole-1,3(2H)-dione; Rivaroxaban Impurity G;(S)-2-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione;DTXSID10470679;AKOS015999673;2-(((5S)-2-Oxo-3-(4-(3-oxo-4-morpholinyl)phenyl)-1,3-oxazolidin-5-yl)methyl)-lh isoindole-1,3(2H)-dione;(S)-2((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;F11545;2-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1, 3-oxazolidin-5-yl}methyl)-1H-isoindole-1,3(2H)-dione;(R)-2-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;(S)-2-((2-Oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)isoindoline-1,3-dione;UNII-2XRK8YBC47;EC 610-201-0;A15574;(S)-2-({2-oxo-3-[4-(3-oxomorpholino)phenyl]oxazolidin-5-yl}methyl)isoindoline-1,3-dione;Rivaroxaban Related Compound G [USP-RS];

标识符

MDL:
MFCD11977665
InChIKey:
KUQNYAUTIWQAKY-MRXNPFEDSA-N
Inchi:
1S/C22H19N3O6/c26-19-13-30-10-9-23(19)14-5-7-15(8-6-14)24-11-16(31-22(24)29)12-25-20(27)17-3-1-2-4-18(17)21(25)28/h1-8,16H,9-13H2/t16-/m1/s1
SMILES:
O1C(N(C2C=CC(=CC=2)N2C(COCC2)=O)C[C@@H]1CN1C(C2C=CC=CC=2C1=O)=O)=O

利伐沙班杂质 9(446292-08-6)物化性质

实验特性

  • LogP : 1.73910
  • PSA : 96.46000
  • 折射率 : 1.658
  • 沸点 : 702.9°C at 760 mmHg
  • 蒸气压 : 0.0±2.2 mmHg at 25°C
  • 闪点 : 378.9±31.5 °C
  • 颜色与性状 : 白色固体
  • 密度 : 1.5±0.1 g/cm3

计算特性

  • 精确分子量 : 421.12700
  • 氢键供体数量 : 0
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 4
  • 同位素质量 : 421.127385g/mol
  • 重原子数量 : 31
  • 复杂度 : 740
  • 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) : 1.2
  • 拓扑分子极性表面积 : 96.5
  • 分子量 : 421.4g/mol

利伐沙班杂质 9(446292-08-6)生产方法和用途

用途:
是抗凝剂利伐沙班的中间体。

利伐沙班杂质 9(446292-08-6)参考资料

Reaxys RN:
PubChem CID: