8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 1,3-Dimethyl-8-(1H-indole-3-yl)xanthine|8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione|J3.070.508D|8-(1H-Indol-3-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|8-(1H-Indole-3-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|8-(1H-indol-3-yl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
CAS: 970-84-3
| Molecular Formula | C15H13N5O2 |
|---|---|
| Molecular Weight | 295.10693 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.10693 |
| Monoisotopic Mass | 295.10693 |
| Heavy Atoms | 22 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 970-84-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CNC4=CC=CC=C43 |
| InChIKey | IVIWTPKRTUUIRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Food Additives (52 patents)
Pharmaceutical Intermediates (25 patents)
Product Overview
8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione (CAS 970-84-3), with molecular formula C15H13N5O2 and molecular weight 295.10693 g/mol. IUPAC: 8-(1H-indol-3-yl)-1,3-dimethyl-7H-purine-2,6-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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