1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylic acid
1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid
Also Known As: 8-carboxytheophylline|8-Theophyllinecarboxylic acid|Theophyllin-carbonsaeure-(8)|KST-1B6531|1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylic acid|1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05455 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.05455 |
| Monoisotopic Mass | 224.05455 |
| Heavy Atoms | 16 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 6301-62-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(=O)O |
| InChIKey | CUADZKWWQWDTQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylic acid (CAS 6301-62-8), with molecular formula C8H8N4O4 and molecular weight 224.05455 g/mol. IUPAC: 1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid.
1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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