Theoxylline

Molecular Formula: C12H22N5O3+


InChI: InChI=1/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9);7H,4-5H2,1-3H3/q;+1/f/h8H;

InChIKey: InChIKey=RIKWPUSWRKPQAB-LUXJPWOACY
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO

Names:
    Brondecon
    Choledyl
    Cholegyl
    Cholinophylline
    Cholinophyllin
    Oxtrimethylline
    Soliphylline
    Teofilcolina
    Teokolin
    Theoxylline
    1,3-dimethyl-7H-purine-2,6-dione; 2-hydroxyethyl-trimethyl-azanium

Registries:
    PubChem CID 20585
    PubChem ID 163400