| 中文别名 | Bitopertin(cas:845614-11-1) |
| 英文别名 | Bitopertin,845614-11-1 |
| CAS号 | 845614-11-1 |
| SMILES | FC1=CC(C(F)(F)F)=CN=C1N2CCN(C(C3=CC(S(=O)(C)=O)=CC=C3O[C@H](C(F)(F)F)C)=O)CC2 |
| Inchi | InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m0/s1 |
| InchiKey | YUUGYIUSCYNSQR-LBPRGKRZSA-N |
| 分子式 Formula | C21H20F7N3O4S |
| 分子量 Molecular Weight | 543.46 |
| 闪点 FP | 337.9±31.5 ℃ |
| 沸点 Boiling point | 635.1±55.0 ℃ at 760 mmHg |
| Polarizability极化度 | 44.7±0.5 10-24cm3 |
| 密度 Density | 1.4±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.9 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 50 mg/mL(92.00 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | 固体粉末,Power |
| 储藏条件 Storage conditions | -20℃ 3 years年 4℃ 2 years年 / In solvent溶液中: -80℃ 6 months月 -20℃ 1 month月 |
