恩曲他滨杂质 基本信息
| 中文名称 | 恩曲他滨杂质 |
|---|---|
| 中文同义词 | 2-表艾美他滨;恩曲他滨–对映体杂质;2-表-恩曲他滨;(2S,5S)-恩曲他滨;2-表恩曲他滨杂质;2-EPI-恩曲他滨 |
| 英文名称 | 2-epi-(-)-EMtricitabine |
| 英文同义词 | Emtricitabine IP Impurity J;Emtricitabine Impurity 19;(2S-trans)-4-AMino-5-fluoro-1-[2-(hydroxyMethyl)-1,3-oxathiolan-5-yl]- 2(1H)-pyriMidinone;4-AMino-5-fluoro-1-[(2S,5S)-2-hydroxyMethyl)-1,3-oxathiolan-5-yl]-2-(1H-pyriMidinone;Emtricitabine – Enantiomer Impurity;(2S,5S)-Emtricitabine;Emtricitabine impurity 1/2-epi Emtricitabine/4-amino-5 fluoro-1-[(2S,5S)-2-hydroxymethyl)-1,3-oxathiolane-5-yl]pyrimidin-2(1H)-one;2(1H)-Pyrimidinone, 4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-trans)- (9CI) |
| CAS号 | 145416-34-8 |
| 分子式 | C8H10FN3O3S |
| 分子量 | 247.2467032 |
| EINECS号 | |
| 相关类别 | 有机中间体;杂质;Carbohydrates & Derivatives;Chiral Reagents;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds;Carbohydrates & Derivatives, Chiral Reagents, Heterocycles, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds |
| Mol文件 | 145416-34-8.mol |
| 结构式 |  |
恩曲他滨杂质 性质
| 熔点 | 166-173°C |
|---|---|
| 沸点 | 443.3±55.0 °C(Predicted) |
| 密度 | 1.82±0.1 g/cm3(Predicted) |
| 储存条件 | Refrigerator |
| 溶解度 | 可溶于DMSO（少量加热）、甲醇（轻微） |
| 形态 | 固体 |
| 酸度系数(pKa) | 13.83±0.10(Predicted) |
| 颜色 | 灰白色至浅米色 |
| InChI | InChI=1/C8H10FN3O3S/c9-4-1-12(8(14)11-7(4)10)5-3-16-6(2-13)15-5/h1,5-6,13H,2-3H2,(H2,10,11,14)/t5-,6-/s3 |
| InChIKey | XQSPYNMVSIKCOC-FJGCHTOXNA-N |
| SMILES | C1(=O)N([C@H]2O[C@H](CO)SC2)C=C(F)C(N)=N1 |&1:3,5,r| |