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| IUPAC Name: | 8-bromo-3-methyl-7H-purine-2,6-dione |
| Description: | 8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione is an impurity of Linagliptin. Linagliptin is an inhibitor of dipeptidyl peptidase-4 (DPP-4) that is a medication used to treat type 2 diabetes in conjunction with exercise and diet. |
| Molecular Weight: | 245.04 |
| Molecular Formula: | C6H5BrN4O2 |
| Canonical SMILES: | CN1C2=C(C(=O)NC1=O)NC(=N2)Br |
| InChI: | InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13) |
| InChI Key: | QTEQVEJOXGBDGI-UHFFFAOYSA-N |
| Melting Point: | >300.0°C |
| Purity: | ≥95% |
| Density: | 2.0±0.1 g/cm3 |
| Solubility: | Soluble in DMF (Slightly) and DMSO (Slightly) |
| Appearance: | Pale Yellow Solid |
| Storage: | Store at -20°C, Inert atmosphere |
| MDL: | MFCD00462528 |
| LogP: | -0.28760 |
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