1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione
- Product Name1-Butyl-8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-3-(3-hydroxypropyl)-1H-purine-2,6-dione
- CAS524944-72-7
- MFC21H30N4O3
- MW386.49
- EINECS
- MOL File524944-72-7.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 |
| pka | 9.17±0.70(Predicted) |
| form | powder |
| 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 |