Α-去甲基阿那曲唑 基本信息
| 中文名称 | Α-去甲基阿那曲唑 |
|---|---|
| 中文同义词 | 阿那曲唑EP杂质A;阿那曲唑相关化合物B;Α-去甲基阿那曲唑;阿那曲唑杂质A(EP);阿那曲唑相关化合物B(USP);Α-DESMETHYL ANASTROZOLE;阿那曲唑USP制剂杂质D;ALPHA-去甲基阿那罗唑 |
| 英文名称 | α-Desmethyl Anastrozole |
| 英文同义词 | 2-[3-(1-Cyanoethyl)-5-(1H,1,2,4-triazole-1-ylMethyl)phenyl]-2-Methylpropionitrile;α1,α1,α3-TriMethyl-5-(1H-1,2,4-triazol-1-ylMethyl)-;Anastrozole α-DesMethyl;Anastrozole EP Impurity A;α-Desmethyl Anastrozole;Anastrozole Impurity 6（EP Impurity A）;Anastrozole Impurity 6（Anastrozole EP Impurity A）;2-[3-[(1RS)-1-Cyanoethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile |
| CAS号 | 1215780-15-6 |
| 分子式 | C16H17N5 |
| 分子量 | 279.34 |
| EINECS号 | |
| 相关类别 | 杂质;化工原料;杂质对照品;Aromatics, Heterocycles, Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;Aromatics;Heterocycles;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals |
| Mol文件 | 1215780-15-6.mol |
| 结构式 |  |
Α-去甲基阿那曲唑 性质
| 沸点 | 477.5±55.0 °C(Predicted) |
|---|---|
| 密度 | 1.11±0.1 g/cm3(Predicted) |
| 储存条件 | Refrigerator |
| 溶解度 | 可溶于氯仿、甲醇（极少量） |
| 酸度系数(pKa) | 2.63±0.10(Predicted) |
| 形态 | 稠油 |
| 颜色 | 无色至浅米色 |
| InChI | InChI=1S/C16H17N5/c1-12(7-17)14-4-13(8-21-11-19-10-20-21)5-15(6-14)16(2,3)9-18/h4-6,10-12H,8H2,1-3H3 |
| InChIKey | LXXANTDQIIXQBZ-UHFFFAOYSA-N |
| SMILES | c1c(C[n]2ncnc2)cc(C(C)(C#N)C)cc1C(C#N)C |