| 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione; 1,3-dimethyl-7H-purine-2,6-dione; 1,3-dimethylxanthine; theocin; theophylline | |
| Links: | 🌍 Wikipedia, 📏 NIST, 📖Org. Chem., v. Richter, 1. Vol (Theophylline); p. 572, 589, 590, |
| MeSH: | Anti-Asthmatic Agents; Autonomic Agents; Bronchodilator Agents; Enzyme Inhibitors; Neurotransmitter Agents; Purinergic Agents |
| CAS RN: | [58-55-9] |
| Formula: | C7H8N4O2; 180.17 g/mol |
| InChiKey: | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| SMILES: | CN1C(=O)N(C)c2nc[nH]c2C1=O |
| Pharmaceutical use: | antiasthmatic; bronchodilator; stimulant |
| Toxicology (LD50): | 101.0 mg/Kg (cat, or); 185 mg/Kg(guinea~pig, sc); 115 mg/Kg(rabbit, iv); 350 mg/Kg(rabbit, or) |
| Melting point: | 272 °C |
| Log10 partition octanol / water: | -0.02 |
| 1g dissolves in: 192.31g water | |