| 中文别名 | Nelotanserin(cas:839713-36-9) |
| 英文别名 | Nelotanserin,839713-36-9 |
| CAS号 | 839713-36-9 |
| SMILES | COC1=C(C2=C(Br)C=NN2C)C=C(NC(NC3=C(F)C=C(F)C=C3)=O)C=C1 |
| Inchi | InChI=1S/C18H15BrF2N4O2/c1-25-17(13(19)9-22-25)12-8-11(4-6-16(12)27-2)23-18(26)24-15-5-3-10(20)7-14(15)21/h3-9H,1-2H3,(H2,23,24,26) |
| InchiKey | COSPVUFTLGQDQL-UHFFFAOYSA-N |
| 分子式 Formula | C18H15BrF2N4O2 |
| 分子量 Molecular Weight | 437.24 |
| 闪点 FP | 211.4±28.7 ℃ |
| 沸点 Boiling point | 425.9±45.0 ℃ at 760 mmHg |
| Polarizability极化度 | 39.7±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±1.0 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 32 mg/mL(73.19 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 |
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