| 英文别名 | 1333489-03-4;Regorafenib (Pyridine)-N-oxide-d3 |
| CAS号 | 1333489-03-4 |
| SMILES | C([2H])([2H])([2H])NC(=O)C1=[N+](C=CC(=C1)OC2=CC(=C(C=C2)NC(=NC3=CC(=C(C=C3)Cl)C(F)(F)F)O)F)[O-]
[2H]C([2H])([2H])NC(=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)/i1D3 |
| InchiKey | NUCXNEKIESREQY-FIBGUPNXSA-N |
| 分子式 Formula | C21H12D3ClF4N4O4 |
| 分子量 Molecular Weight | 501.833 |
| 闪点 FP | 304.9±30.1 ℃ |
| 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 | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
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