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| IUPAC Name: | 1,7-dimethyl-3,9-dihydropurine-2,6,8-trione |
| Description: | 1,7-Dimethyluric Acid is one of Caffeine metabolites. Caffeine is a CNS stimulant. Alkaloid, purified from plants of Coffea genus, Rubiaceae. |
| Molecular Weight: | 196.16 |
| Molecular Formula: | C7H8N4O3 |
| Canonical SMILES: | NOFNCLGCUJJPKU-UHFFFAOYSA-N |
| InChI: | InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)9-7(14)11(2)5(3)12/h1-2H3,(H,8,13)(H,9,14) |
| InChI Key: | NOFNCLGCUJJPKU-UHFFFAOYSA-N |
| Melting Point: | >300°C |
| Purity: | ≥95% |
| Density: | 1.630 g/cm3 |
| Solubility: | Soluble in DMSO (Slightly, Heated) |
| Appearance: | Off-white solid |
| Storage: | Store at 2-8°C |
| MDL: | MFCD00005713 |
| LogP: | -1.74640 |
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