Theophylline

• Formula: C₇H₈N₄O₂

• MW: 180.17

• SMILES String: Cn1c2nc[nH]c2c(=O)n(C)c1=O

• Synonyms: 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; 1,3-Dimethylxanthine; 1H-purine-2,6-dione; 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione; Aerolate; Austyn; Bronchodid Duracap; Bronkodyl; Bronkotabs; Elixicon; Elixophyllin; Hylate; Labophylline; LASMA; Mudrane; Nuelin; Nuelin SA; Pro-vent; pseudotheophylline; Quadrinal; Respbid; Slo-Phyllin; Synophylate; Theo-Dur; Theo-Organidin; Theobid; theocin; Theokin; Theolair; Theophyl-225; theophyllin; Theospan; Uniphyllin continus

• CAS Reg. 58-55-9

• PubChem Substance Entry

• National Toxicology Program

• EAWAG-BBD reactions whose product is Theophylline
  • Caffeine -----> Theophylline (reacID# r1324)

• EAWAG-BBD reactions whose substrate is Theophylline
  • Theophylline -----> 1-Methylxanthine (reacID# r1327)
  • Theophylline -----> 3-Methylxanthine (reacID# r1325)

Page Author(s): Rachael Long
November 08, 2013 Contact Us

This is the EAWAG-BBD compound, compID# c1152.
It was generated on December 15, 2025 at 8:41:01 PM CST.

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