1356020-01-3 (阿莫西林杂质E,(4S)-2-(2R)-2-Amino-2-(4-hydroxyphenyl)acetylaminomethyl-5,5-dimethyl-4-thiazolidinecarboxylic Acid (Mixture of Diastereomers))

CAS号:
1356020-01-3
中文名称:
阿莫西林杂质E
英文名称:
(4S)-2-(2R)-2-Amino-2-(4-hydroxyphenyl)acetylaminomethyl-5,5-dimethyl-4-thiazolidinecarboxylic Acid (Mixture of Diastereomers)
分子式:
C15H21N3O4S
分子量:
339.409942388535

阿莫西林杂质E(1356020-01-3)名称与标识符

名称

中文别名:
(4S)-2-[[[(2R)-2-氨基-2-(4-羟基苯基)乙酰]氨基]甲基]-5,5-二甲基-4-噻唑烷羧酸;(4S)-2-[[[(2R)-2-氨基-2-(4-羟基苯基)乙酰基]氨基]甲基]-5,5-二甲基-4-噻唑烷羧酸;阿莫西林杂质E;阿莫西林 EP 杂质 E;
英文别名:
(4S)-2-[[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic Acid (Mixture of Diastereomers);(4S)-2-[[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic;(4S)-2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)-methyl)-5,5-dimethylthiazolidine-4-carboxylic acid;(4S)-2-[[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;(4S)-2-[[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic Acid (Mixture of D...;Amoxicillin Impurity E;178738-48-2 and 178738-49-3;AMOXICILLIN SODIUM IMPURITY E [EP IMPURITY];UNII-9OSM52GH6L;(4S)-2-[[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]methyl]-5,5-dimethyl-4-thiazolidinecarboxylic Acid;Amoxicillin EP Impurity E; Amoxicillin USP Related Compound E;DB-223122;1356020-01-3;9OSM52GH6L;F82866;Q27272833;(4S)-2-(((R)-2-amino-2-(4-hydroxyphenyl)acetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid? (Amoxicillin Impurity pound(c);Amoxicillin trihydrate impurity E [EP];(4S)-2-(((R)-2-amino-2-(4-hydroxyphenyl)acetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid;Amoxicillin-EP-impurity-E;DTXSID10159477;A936522;4-Thiazolidinecarboxylic acid, 2-((((2R)-2-amino-2-(4-hydroxyphenyl)acetyl)amino)methyl)-5,5-dimethyl-, (4S)-;(2RS,4S)-2-((((2R)-2-Amino-2-(4-hydroxyphenyl)acetyl)amino)methyl)-5,5-dimethylthiazolidine-4-carboxylic acid;2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)methyl(-5,5-dimethylthiazolidine-4-carboxylic acid, (4S)-;(4S)-2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)methyl(-5,5-dimethylthiazolidine-4-carboxylic acid;(4S)-2-({[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}methyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;AMOXICILLIN TRIHYDRATE IMPURITY E [EP IMPURITY];Amoxicillin Impurity E;(4S)-2-(((R)-2-Amino-2-(4-hydroxyphenyl)acetamido)methyl)-5,5-dimethylthiazolidine-4-carboxylicacid(AmoxicillinImpurity);CS-0165502;Amoxicillin Penilloic Acid;DTXCID1081968;AMOXICILLIN SODIUM IMPURITY E (EP IMPURITY);Amoxicillin trihydrate impurity E;AMOXICILLIN TRIHYDRATE IMPURITY E (EP IMPURITY);

标识符

InChIKey:
HLJHSXSJKLJNKE-SAIIYOCFSA-N
Inchi:
1S/C15H21N3O4S/c1-15(2)12(14(21)22)18-10(23-15)7-17-13(20)11(16)8-3-5-9(19)6-4-8/h3-6,10-12,18-19H,7,16H2,1-2H3,(H,17,20)(H,21,22)/t10?,11-,12+/m1/s1
SMILES:
S1C(CNC([C@@H](C2C=CC(=CC=2)O)N)=O)N[C@@H](C(=O)O)C1(C)C

阿莫西林杂质E(1356020-01-3)物化性质

实验特性

  • LogP : 2.27190
  • PSA : 153.47000
  • 沸点 : NA
  • 熔点 : NA

计算特性

  • 精确分子量 : 339.12500
  • 氢键供体数量 : 5
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 5
  • 同位素质量 : 339.12527733g/mol
  • 重原子数量 : 23
  • 复杂度 : 452
  • 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 : 1
  • 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) : -1.9
  • 拓扑分子极性表面积 : 150Ų

阿莫西林杂质E(1356020-01-3)安全信息

阿莫西林杂质E(1356020-01-3)参考资料

Reaxys RN:
PubChem CID: