| CAS NO: | 2093393-05-4 |
| 中文别名 | TC13172;3,7-Dihydro-3-[3-(3-hydroxyphenyl)-2-propyn-1-yl]-1,7-dimethyl-8-(methylsulfonyl)-1H-purine-2,6-dione() |
| 英文别名 | 3,7-Dihydro-3-[3-(3-hydroxyphenyl)-2-propyn-1-yl]-1,7-dimethyl-8-(methylsulfonyl)-1H-purine-2,6-dione |
| CAS号 | 2093393-05-4 |
| SMILES | Cn1c2c(nc1S(=O)(=O)C)n(c(=O)n(c2=O)C)CC#Cc3cccc(c3)O |
| Inchi | InChI=1S/C17H16N4O5S/c1-19-13-14(18-16(19)27(3,25)26)21(17(24)20(2)15(13)23)9-5-7-11-6-4-8-12(22)10-11/h4,6,8,10,22H,9H2,1-3H3 |
| InchiKey | ZTQLCNOQWGSELY-UHFFFAOYSA-N |
| 分子式 Formula | C17H16N4O5S |
| 分子量 Molecular Weight | 388.4 |
| 沸点 Boiling point | 679.6±65.0 ℃ at 760 mmHg |
| Polarizability极化度 | 39.6±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 蒸汽压 Vapor Pressure | 0.0±2.2 mmHg at 25℃ |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度25 mg/mL(64.37 mM;Need ultrasonic)H2O< 0.1 mg/mL(insoluble) |
| 性状 | Solid power |
| 储藏条件 Storage conditions | storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years) |
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