524944-72-7
| Name | 1-BUTYL-8-(HEXAHYDRO-2,5-METHANOPENTALEN-3A(1H)-YL)-3,7-DIHYDRO-3-(3-HYDROXYPROPYL)-1H-PURINE-2,6-DIONE |
| CAS | 524944-72-7 |
| Molecular Formula | C21H30N4O3 |
| MDL Number | MFCD08703092 |
| Molecular Weight | 386.49 |
| MOL File | 524944-72-7.mol |
Chemical Properties
| Boiling point | 646.0±61.0 °C(Predicted) |
| density | 1.304±0.06 g/cm3(Predicted) |
| storage temp. | Desiccate at +4°C |
| solubility | DMSO: ≥20mg/mL |
| form | powder |
| pka | 9.17±0.70(Predicted) |
| color | white to tan |
| InChI | 1S/C21H30N4O3/c1-2-3-5-25-18(27)16-17(24(20(25)28)6-4-7-26)23-19(22-16)21-11-13-8-14(12-21)10-15(21)9-13/h13-15,26H,2-12H2,1H3,(H,22,23)/t13-,14+,15-,21- |
| InChIKey | CIBIXJYFYPFMTN-FZUGUKJMSA-N |
| SMILES | CCCCN1C(=O)N(CCCO)c2nc([nH]c2C1=O)C34C[C@@H]5C[C@@H](C[C@H]3C5)C4 |