1-Methylxanthine

• Formula: C₆H₆N₄O₂

• MW: 166.14

• SMILES String: Cn1c(=O)[nH]c2nc[nH]c2c1=O

• Synonyms: 1-methyl-3,7-dihydropurine-2,6-dione

• CAS Reg. 6136-37-4

• PubChem Substance Entry

• EAWAG-BBD reactions whose product is 1-Methylxanthine
  • Paraxanthine -----> 1-Methylxanthine (reacID# r1320)
  • Theophylline -----> 1-Methylxanthine (reacID# r1327)

• EAWAG-BBD reactions whose substrate is 1-Methylxanthine
  • 1-Methylxanthine -----> Xanthine (reacID# r1331)

Page Author(s): Rachael Long
July 31, 2017 Contact Us

This is the EAWAG-BBD compound, compID# c1157.
It was generated on August 8, 2026 at 5:31:56 AM CDT.

© 2026, EAWAG.