theophylline


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:[58-55-9]
Formula:C7H8N4O2; 180.17 g/mol
InChiKey:ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES:CN1C(=O)N(C)c2nc[nH]c2C1=O
Molecular structure of theophylline
Melting point:272 °C
Log10 partition octanol / water:-0.02
1g dissolves in:
192.31g water

Isomers

1,7-dimethylxanthine
Molecular structure of 1,7-dimethylxanthine
1,9-dimethylxanthine
Molecular structure of 1,9-dimethylxanthine
3-(2-methyl-4-nitro-1H-imidazol-1-yl)propionitrile
Molecular structure of 3-(2-methyl-4-nitro-1H-imidazol-1-yl)propionitrile
theobromine
Molecular structure of theobromine
theophylline
Molecular structure of theophylline