Description

A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea.

Chemical properties

Chemical formula Net charge Average mass
C7H8N4O2 0 180.16418
theophylline

Nomenclature

IUPAC SMILES InChI InChIKey Synonyms
1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione Cn1c2nc[nH]c2c(=O)n(C)c1=O InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9) ZFXYFBGIUFBOJW-UHFFFAOYSA-N
  • theolair
  • uniphyl
  • 1,3-dimethylxanthine
  • theophyllin
  • respbid
  • 1,3-dimethyl-7h-purine-2,6-dione
  • theo-dur
  • elixophyllin
  • theophylline anhydrous