5-溴去氰基西酞普兰 基本信息
| 中文名称 | 5-溴去氰基西酞普兰 |
|---|---|
| 中文同义词 | 西酞普兰杂质25;5-溴去氰基西酞普兰;西酞普兰EP杂质F;普拉克索EP杂质F;西酞普兰杂质8(西酞普兰EP杂质F) |
| 英文名称 | 5-BroModescyano CitalopraM |
| 英文同义词 | Citalopram EP Imp F;3-(5-bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine;5-BroModescyano CitalopraM;1-(4-Fluorophenyl)-1-(3-diMethylaMinopropyl)-5-broMophthalane;5-BroMo-1-(4-fluorophenyl)-1,3-dihydro-N,N-diMethyl-1-isobenzofuranpropanaMine;Citalopram Impurity 8(Citalopram EP Impurity F);Citalopram EP Impurity F;1-Isobenzofuranpropanamine, 5-bromo-1-(4-fluorophenyl)-1,3-dihydro-N,N-dimethyl- |
| CAS号 | 64169-39-7 |
| 分子式 | C19H21BrFNO |
| 分子量 | 378.28 |
| EINECS号 | |
| 相关类别 | 229-艾司西酞普兰;Amines;Aromatics;Heterocycles;Impurities;Intermediates & Fine Chemicals;Neurochemicals;Pharmaceuticals |
| Mol文件 | 64169-39-7.mol |
| 结构式 |  |
5-溴去氰基西酞普兰 性质
| 沸点 | 417.7±45.0 °C(Predicted) |
|---|---|
| 密度 | 1.318±0.06 g/cm3(Predicted) |
| 酸度系数(pKa) | 9.58±0.28(Predicted) |
| InChI | InChI=1S/C19H21BrFNO/c1-22(2)11-3-10-19(15-4-7-17(21)8-5-15)18-9-6-16(20)12-14(18)13-23-19/h4-9,12H,3,10-11,13H2,1-2H3 |
| InChIKey | WOLPGGGWZDXCNM-UHFFFAOYSA-N |
| SMILES | C1(C2=CC=C(F)C=C2)(CCCN(C)C)C2=C(C=C(Br)C=C2)CO1 |