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) |