| 中文别名 | Ibrutinib(cas:936563-96-1) |
| 英文别名 | Ibrutinib,936563-96-1 |
| CAS号 | 936563-96-1 |
| SMILES | C=CC(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O |
| Inchi | InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 |
| InchiKey | XYFPWWZEPKGCCK-GOSISDBHSA-N |
| 分子式 Formula | C25H24N6O2 |
| 分子量 Molecular Weight | 440.5 |
| 闪点 FP | 386.2±32.9 ℃ |
| 沸点 Boiling point | 715.0±60.0 ℃ at 760 mmHg |
| Polarizability极化度 | 50.0±0.5 10-24cm3 |
| 密度 Density | 1.3±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±2.3 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 30 mg/mL(68.10 mM)H2O< 0.1 mg/mL(insoluble)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | Solid |
| 储藏条件 Storage conditions | 4℃, protect from light * In solvent溶液中 : -80℃, 6 months月; -20℃, 1 month月 (protect from light) |
