(6R,7R)-7-[[(2S)-2-AMINO-2-PHENYLACETYL]AMINO]-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 基本信息
| 中文名称 | (6R,7R)-7-[[(2S)-2-AMINO-2-PHENYLACETYL]AMINO]-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID |
|---|---|
| 中文同义词 | 头孢克洛EP杂质C HCL;头孢克洛EP杂质C盐酸盐;头孢克洛 (2S)-异构体 盐酸盐;头孢克洛杂质C(EP);头孢克洛有关杂质 C;(6R,7R)-7-((S)-2-氨基-2-苯乙酰胺)-3-氯-8-氧-5-噻-1-氮杂双环[4.2.0]辛-2-烯-2-羧酸 (头孢克洛杂质) |
| 英文名称 | cefaclor iMpurity C |
| 英文同义词 | (6R,7R)-7-[[(2S)-2-AMINO-2-PHENYLACETYL]AMINO]-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID;cefaclor iMpurity C;Cefaclor impurity 2/Cefaclor EP Impurity C/(6R,7R)-7-((S)-2-amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;Cefaclor EP Impurity C HCl;Cefaclor Impurity C (EP);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(aminophenylacetyl)amino]-3-chloro-8-oxo-, [6R-[6α,7β(S*)]]- (9CI);Cefaclor (2S)-Isomer;(6R,7R)-7-((S)-2-Amino-2-phenylacetamido)-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (Cefaclor Impurity) |
| CAS号 | 143059-69-2 |
| 分子式 | C15H14ClN3O4S |
| 分子量 | 367.8 |
| EINECS号 | |
| 相关类别 | 对照品-杂质对照品;头孢克洛杂质;杂质对照品 |
| Mol文件 | 143059-69-2.mol |
| 结构式 | ![(6R,7R)-7-[[(2S)-2-AMINO-2-PHENYLACETYL]AMINO]-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 结构式](CAS/20211123/GIF/143059-69-2.gif) |
(6R,7R)-7-[[(2S)-2-AMINO-2-PHENYLACETYL]AMINO]-3-CHLORO-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID 性质
| 沸点 | 713.4±60.0 °C(Predicted) |
|---|---|
| 密度 | 1.62±0.1 g/cm3(Predicted) |
| 溶解度 | DMSO（轻微）、水（轻微、超声处理） |
| 形态 | 固体 |
| 酸度系数(pKa) | 1.95±0.50(Predicted) |
| 颜色 | 淡黄色低 |
| InChI | InChI=1/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10+,14+/s3 |
| InChIKey | QYIYFLOTGYLRGG-SGYQERQLNA-N |
| SMILES | O=C1[C@@H](NC(=O)[C@H](C2C=CC=CC=2)N)[C@@]2([H])SCC(Cl)=C(C(=O)O)N12 |&1:2,6,14,r| |