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| Related CAS: | 383160-11-0 (Labeled compound) |
| IUPAC Name: | 3,7-dimethyl-9H-purine-2,6,8-trione |
| Description: | 3,7-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: | CN1C2=C(NC1=O)N(C(=O)NC2=O)C |
| InChI: | InChI=1S/C7H8N4O3/c1-10-3-4(8-6(10)13)11(2)7(14)9-5(3)12/h1-2H3,(H,8,13)(H,9,12,14) |
| InChI Key: | HMLZLHKHNBLLJD-UHFFFAOYSA-N |
| Melting Point: | ≥300°C |
| Purity: | 95% |
| Density: | 1.630±0.10 g/cm3 (Predicted) |
| Appearance: | Solid |
| Storage: | Store at -20°C |
| MDL: | MFCD00042988 |
| LogP: | -0.92180 |
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