替卡格雷杂质J 基本信息
| 中文名称 | 替卡格雷杂质J |
|---|---|
| 中文同义词 | 替卡格雷相关化合物57;(1S,2S,3R,5S)-3-((5-氨基-6-氯-2-(丙硫基)嘧啶-4-基)氨基)-5-(2-羟基乙氧基)环戊烷-1,2-二醇 |
| 英文名称 | (1S,2S,3R,5S)-3-(5-Amino-6-chloro-2-(propylthio)pyrimidin-4-ylamino)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol |
| 英文同义词 | (1S,2S,3R,5S)-3-(5-Amino-6-chloro-2-(propylthio)pyrimidin-4-ylamino)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol;Ticagrelor Acetonide/(1S,2S,3S,5R)-3-(2-Hydroxyethoxy)-5-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;Ticagrelor impurity 1/Ticagrelor Acetonide/(1S,2S,3S,5R)-3-(2-Hydroxyethoxy)-5-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]cyclopentane-1,2-diol;(1S,2S,3R,5S)-3-(5-Amino-6-chloro-2-(propylthio)pyrimidin-4-ylamino)-5-(2-hydroxyethoxy)cyclopentane;1,2-Cyclopentanediol, 3-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)- |
| CAS号 | 1402150-32-6 |
| 分子式 | C14H23ClN4O4S |
| 分子量 | 378.87 |
| EINECS号 | |
| 相关类别 | 杂质;替格瑞洛杂质;对照品 |
| Mol文件 | 1402150-32-6.mol |
| 结构式 |  |
替卡格雷杂质J 性质
| 沸点 | 615.2±55.0 °C(Predicted) |
|---|---|
| 密度 | 1.47±0.1 g/cm3(Predicted) |
| 酸度系数(pKa) | 13.66±0.70(Predicted) |
| InChI | InChI=1S/C14H23ClN4O4S/c1-2-5-24-14-18-12(15)9(16)13(19-14)17-7-6-8(23-4-3-20)11(22)10(7)21/h7-8,10-11,20-22H,2-6,16H2,1H3,(H,17,18,19)/t7-,8+,10+,11-/m1/s1 |
| InChIKey | FWGBZSJJCDADJP-YKDSUIRESA-N |
| SMILES | [C@@H]1(O)[C@@H](OCCO)C[C@@H](NC2C(N)=C(Cl)N=C(SCCC)N=2)[C@@H]1O |