| 英文别名 |
835621-11-9;Regorafenib (Pyridine)-N-oxide |
| CAS号 |
835621-11-9 |
| SMILES |
CNC(=O)c1cc(cc[n+]1[O-])Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl |
| Inchi |
InChI=1S/C21H15ClF4N4O4/c1-27-19(31)18-10-13(6-7-30(18)33)34-12-3-5-17(16(23)9-12)29-20(32)28-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,28,29,32) |
| InchiKey |
NUCXNEKIESREQY-UHFFFAOYSA-N |
| 分子式 Formula |
C21H15ClF4N4O4 |
| 分子量 Molecular Weight |
498.815 |
| 闪点 FP |
304.9±30.1 ℃ |
| 熔点 Melting point |
223-227℃ |
| 沸点 Boiling point |
580.5±50.0 ℃ at 760 mmHg |
| Polarizability极化度 |
44.9±0.5 10-24cm3 |
| 密度 Density |
1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure |
0.0±1.6 mmHg at 25℃ |
| 储藏条件 Storage conditions |
Amber Vial, Refrigerator, Under inert atmosphere |
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