theophylline

[(Science: drug) inhibits cAMP phosphodiesterase and is often used in conjunction with exogenous dibutyryl cyclic AMP to raise cellular cAMP levels. Other, less potent, methylxanthines are caffeine, theobromine and aminophylline.

[1. An alkaloid found with caffeine in tea leaves (commercial theophylline is prepared synthetically); shares chemical and pharmacologic properties with caffeine and theobromine.

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Molecular Formula: C₇H₈N₄O₂

InChI: InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/f/h8H

InChIKey: InChIKey=ZFXYFBGIUFBOJW-FZOZFQFYCY
SMILES: CN1C(=O)N(C)c2ncnc2C1=O

CAS number 58-55-9

Names:
    Elixophyllin (TN)
    NINDS_000203
    Theophylline
    theophyllin
    Theophylline
    THEOPHYLLINE
    theophylline
    1,3-Dimethylxanthine
    1,3-dimethyl-7H-purine-2,6-dione

Registries:
    ChemSpider: InChIKey=ZFXYFBGIUFBOJW-FZOZFQFYCY
    PubChem CID 2153
    Beilstein =13463
    CAS 58-55-9 (from NIST)
    ChEBI 28177
    chemPDB TEP
    Kegg C07130
    Kegg D00371
    PubChem ID 11461589
    PubChem ID 9340

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