Basic Information
ID DDInter1791
Drug Type small molecule
Molecular Formula C7H8N4O2
Molecular Weight 180.164
CAS Number 58-55-9
Description A methylxanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac and central nervous system stimulant activities. Mechanistically, theophylline acts as a phosphodiesterase inhibitor, adenosine receptor blocker, and histone deacetylase activator. Theophylline is marketed under several brand names such as Uniphyl and Theochron, and it is indicated mainly for asthma, bronchospasm, and COPD.
ATC Classification R03DA54 R03DA74 R03DA20 R03DA04 R03DB04
IUPAC Name 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Canonical SMILES CN1C2=C(NC=N2)C(=O)N(C)C1=O
Useful Links DrugBank ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider BindingDB PharmGKB Therapeutic Targets Database Guide to Pharmacology Wikipedia ChEMBL ZINC
Interactions with Theophylline
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Interactions with compound preparation
Multi-DRUG trade Multi-DRUG Drug type Warning Note