3-羟基-2-吡咯烷酮(Bay 41-4109 racemate,298708-79-9)是BAY 41-4109的消旋体。BAY 41-4109是人乙型肝炎病毒HBV的有效抑制剂，IC
50值为53 nM。
| 英文别名 | Bay 41-4109 racemateBay 41-4109 (racemate), BAY41-4109, BAY41-4109 Racemic, Bay41-4109?racemate, BAL41-4109 |
| CAS号 | 298708-79-9 |
| SMILES | O=C(C1=C(C)N=C(C2=NC=C(F)C=C2F)NC1C3=CC=C(F)C=C3Cl)OC |
| Inchi | InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25) |
| InchiKey | FVNJBPMQWSIGJK-UHFFFAOYSA-N |
| 分子式 Formula | C18H13ClF3N3O2 |
| 分子量 Molecular Weight | 395.76 |
| 闪点 FP | 241.2±28.7 ℃ |
| 沸点 Boiling point | 475.3±45.0 ℃ at 760 mmHg |
| Polarizability极化度 | 36.9±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.2 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 37 mg/mL(93.49 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 |
