THEOPHYLLINE-BETAINE

Molecular Formula: C12H19N5O4


InChI: InChI=1/C7H8N4O2.C5H11NO2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5(7)8/h3H,1-2H3,(H,8,9);4H2,1-3H3/f/h8H;

InChIKey: InChIKey=SPMFUMHTOFNWHX-LUXJPWOACF
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CC(=O)[O-]

Names:
    THEOPHYLLINE-BETAINE
    1,3-dimethyl-7H-purine-2,6-dione; 2-trimethylammonioacetate
    17140-27-1

Registries:
    PubChem CID 28320
    PubChem ID 170795