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Theophylline

Theophylline

API0232526

Theophylline

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  • CAS No.

    58-55-9

  • Synonyms

    theophylline; 58-55-9; 1,3-Dimethylxanthine

  • CHEMBL ID

    CHEMBL190

  • Molecule Type

    Small molecule

  • Compound CID

    2153

  • Molecular Weight (g/mol)

    180.16

  • Molecular Formula

    C7H8N4O2

  • InChI

    InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)

  • InChIKey

    ZFXYFBGIUFBOJW-UHFFFAOYSA-N

  • SMILES

    CN1C2=C(C(=O)N(C1=O)C)NC=N2

  • IUPAC Name

    1,3-dimethyl-7H-purine-2,6-dione

  • Exact Mass (Da)

    180.06472551

  • Monoisotopic Mass (Da)

    180.06472551

  • First Approval

    1940

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