| 英文别名 | 309913-83-5;Talmapimod |
| CAS号 | 309913-83-5 |
| SMILES | C[C@@H]1CN([C@H](CN1C(=O)c2cc3c(cc2Cl)n(cc3C(=O)C(=O)N(C)C)C)C)Cc4ccc(cc4)F |
| Inchi | InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1 |
| InchiKey | ZMELOYOKMZBMRB-DLBZAZTESA-N |
| 分子式 Formula | C27H30ClFN4O3 |
| 分子量 Molecular Weight | 513.003 |
| 闪点 FP | 351.7±34.3 ℃ |
| 沸点 Boiling point | 658.0±65.0 ℃ at 760 mmHg |
| Polarizability极化度 | 55.0±0.5 10-24cm3 |
| 密度 Density | 1.3±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±2.0 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 100 mg/mL(194.93 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
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