| 中文别名 | Alofanib(cas:1612888-66-0) |
| 英文别名 | Alofanib,1612888-66-0 |
| CAS号 | 1612888-66-0 |
| SMILES | O=C(O)C1=CC=CC(S(=O)(NC2=CC(C3=CC=CN=C3)=C(C)C=C2[N+]([O-])=O)=O)=C1 |
| Inchi | InChI=1S/C19H15N3O6S/c1-12-8-18(22(25)26)17(10-16(12)14-5-3-7-20-11-14)21-29(27,28)15-6-2-4-13(9-15)19(23)24/h2-11,21H,1H3,(H,23,24) |
| InchiKey | QUQGQIASFYWKAB-UHFFFAOYSA-N |
| 分子式 Formula | C19H15N3O6S |
| 分子量 Molecular Weight | 413.4 |
| 闪点 FP | 352.7±34.3 ℃ |
| 沸点 Boiling point | 659.6±65.0 ℃ at 760 mmHg |
| Polarizability极化度 | 41.0±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±2.1 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 30.1 mg/mL(72.81 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | 固体粉末,Power |
| 储藏条件 Storage conditions | -20℃ 3 years年 4℃ 2 years年 / In solvent溶液中:-80℃ 6 months月 -20℃ 1 month月 |
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