73590-06-4 (阿莫西林杂质J,Glycinamide,(2R)-2-(4-hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-)

CAS号:
73590-06-4
中文名称:
阿莫西林杂质J
英文名称:
Glycinamide,(2R)-2-(4-hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-
分子式:
C32H38N6O10S2
分子量:
730.80832529068

阿莫西林杂质J(73590-06-4)名称与标识符

名称

中文别名:
阿莫西林开链二聚体;阿莫西林相关化合物 J;阿莫西林杂质J;阿莫西林钠杂质J;阿莫西林 EP 杂质 J;阿莫西林杂质N;
英文别名:
Glycinamide,(2R)-2-(4-hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-;Amoxicillin Dimer;Amoxicillin impurity J;Amoxicillin EP impurity J;73590-06-4;UNII-DY5TTZ57P2;CS-0164238;(2S,5R,6R)-6-((2R)-2-(2-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-((4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido(-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid;Amoxicillin open ring dimer;(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-6-((R)-2-((R)-2-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido)-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;Q27276668;DY5TTZ57P2;73590-06-4 (sodium);(2R)-(2R)-2-(4-Hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)glycinamide Sodium Salt;DTXSID301098247;(2S,5R,6R)-6-((R)-2-((R)-2-((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-2-((2R,4S)-4-carboxy-5,5-dimethylthiazolidin-2-yl)acetamido)-2-(4-hydroxyphenyl)acetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (Amoxicillin Impurity pound(c);Glycinamide, (2R)-2-(4-hydroxyphenyl)glycyl-(2S)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[(2S,5R,6R)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-(4-hydroxyphenyl)-, (2R)-;Amoxicillin Impurity N;Amoxicillin Impurity J;

标识符

InChIKey:
GERXQFMVSQUXHT-BOUYBQKTSA-N
Inchi:
1S/C32H38N6O10S2/c1-31(2)21(29(45)46)37-26(49-31)19(35-23(41)17(33)13-5-9-15(39)10-6-13)25(43)34-18(14-7-11-16(40)12-8-14)24(42)36-20-27(44)38-22(30(47)48)32(3,4)50-28(20)38/h5-12,17-22,26,28,37,39-40H,33H2,1-4H3,(H,34,43)(H,35,41)(H,36,42)(H,45,46)(H,47,48)/t17-,18-,19-,20-,21+,22+,26-,28-/m1/s1
SMILES:
S1C(C)(C)[C@H](C(=O)O)N2C([C@H]([C@@H]12)NC([C@@H](C1C=CC(=CC=1)O)NC([C@H]([C@@H]1N[C@@H](C(=O)O)C(C)(C)S1)NC([C@@H](C1C=CC(=CC=1)O)N)=O)=O)=O)=O

阿莫西林杂质J(73590-06-4)物化性质

实验特性

  • 沸点 : NA
  • 熔点 : NA

计算特性

  • 精确分子量 : 730.20908378g/mol
  • 氢键供体数量 : 9
  • 氢键受体数量 : 14
  • 可旋转化学键数量 : 11
  • 同位素质量 : 730.20908378g/mol
  • 重原子数量 : 50
  • 复杂度 : 1370
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 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) : -3.8
  • 拓扑分子极性表面积 : 311Ų

阿莫西林杂质J(73590-06-4)安全信息

阿莫西林杂质J(73590-06-4)参考资料

Reaxys RN:
PubChem CID: