| 中文别名 | Celecoxib-d4（544686-20-6） |
| 英文别名 | （544686-20-6);Celecoxib-d4 |
| CAS号 | 544686-20-6 |
| SMILES | [2H]c1c(c(c(c(c1n2c(cc(n2)C(F)(F)F)c3ccc(cc3)C)[2H])[2H])S(=O)(=O)N)[2H] |
| Inchi | InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/i6D,7D,8D,9D |
| InchiKey | RZEKVGVHFLEQIL-YKVCKAMESA-N |
| 分子式 Formula | C17H10D4F3N3O2S |
| 分子量 Molecular Weight | 385.397 |
| 闪点 FP | 273.7±32.9 ℃ |
| 熔点 Melting point | 149-152℃ |
| 沸点 Boiling point | 529.0±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 36.4±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.4 mmHg at 25℃ |
| 溶解度Solubility | DMSO (Slightly), Methanol (Slightly) |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
