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| IUPAC Name: | 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid |
| Description: | A metabolite of Dyphylline which is a xanthine derivative used to relieve breathing problems caused by bronchial asthma, chronic bronchitis, or emphysema. |
| Molecular Weight: | 238.20 |
| Molecular Formula: | C9H10N4O4 |
| Canonical SMILES: | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O |
| InChI: | InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15) |
| InChI Key: | HCYFGRCYSCXKNQ-UHFFFAOYSA-N |
| Boiling Point: | 269-271 °C |
| Purity: | > 95 % |
| Density: | 1.64 g/cm3 |
| LogP: | -1.48170 |
Catalog: BB020209
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