N-DESMETHYLDANOFLOXACIN 基本信息
| 中文名称 | N-DESMETHYLDANOFLOXACIN |
|---|---|
| 中文同义词 | |
| 英文名称 | N-Desmethyldanofloxacin |
| 英文同义词 | 1-Cyclopropyl-6-fluoro-1,4-dihydro-7-[(1β,4β)-3,6-diazabicyclo[2.2.1]heptan-3-yl]-4-oxoquinoline-3-carboxylic acid;1-Cyclopropyl-6-fluoro-7-[(1α,4α)-2,5-diazabicyclo[2.2.1]heptane-2-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-6-fluoro-1,4-dihydro-4-oxo-;1-Cyclopropyl-7-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid methanesulfonate hydrate;CP-074416 methanesulfonate hydrate;CP-74416 methanesulfonate hydrate;N-desmethyldanofloxacin methanesulfonate hydrate;1-Cyclopropyl-7-(1S,4S)-2,5-diazabicyclo[2.2.1]hept-2-yl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid |
| CAS号 | 108461-04-7 |
| 分子式 | C18H18FN3O3 |
| 分子量 | 343.35 |
| EINECS号 | |
| 相关类别 | Metabolites & Impurities;Various Metabolites and Impurities |
| Mol文件 | 108461-04-7.mol |
| 结构式 |  |
N-DESMETHYLDANOFLOXACIN 性质
| 熔点 | >220°C (dec.) |
|---|---|
| 沸点 | 599.010±50.00 °C(Press: 760.00 Torr)(predicted) |
| 密度 | 1.523±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| 储存条件 | room temp |
| 溶解度 | H2O：≥22mg/mL |
| 形态 | 粉末 |
| 酸度系数(pKa) | 6.164±0.10(predicted) |
| 颜色 | 白色至棕褐色 |
| 水溶解性 | H2O: ≥22mg/mL |
| InChI | 1S/C18H18FN3O3/c19-14-4-12-15(5-16(14)21-7-9-3-11(21)6-20-9)22(10-1-2-10)8-13(17(12)23)18(24)25/h4-5,8-11,20H,1-3,6-7H2,(H,24,25)/t9-,11-/m0/s1 |
| InChIKey | LHZDPJRHQVYKPA-ONGXEEELSA-N |
| SMILES | Fc1cc2c(cc1N4[C@@H]5C[N+H2][C@H](C4)C5)N(C=C(C2=O)C(=O)[O-])C3CC3 |
安全信息
| WGK Germany | 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |