Theophylline, 8-(acetoxymercurio)-

Molecular Formula: C₉H₁₁HgN₄O₄

InChI: InChI=1/C7H8N4O2.C2H4O2.Hg/c1-10-5-6(11(2)7(10)13)9-4(12)3-8-5;1-2(3)4;/h3H,1-2H3,(H,9,12);1H3,(H,3,4);/q;;+1/p-1/fC7H7N4O2.C2H4O2.Hg/h;3H;/q-1;;m

InChIKey: InChIKey=LWNRNIOXZMWQTO-ANXSASDRCG
SMILES: CC(=O)O.CN1C2=C(N=CC(=O)[N-]2)N(C1=O)C.[Hg+]

Names:
    acetic acid; 7,9-dimethyl-5,7,9-triaza-2-azanidabicyclo[4.3.0]nona-4,10-diene-3,8-dione; mercury(+1) cation
    MERCURY, (ACETATO)(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXOPURIN-8-YL)-
    NSC 39258
    Theophylline, 8-(acetoxymercurio)-
    (Acetato)(8-theophyllinyl)mercury
    6336-12-5
    8-Theophylline mercuric acetate

Registries:
    PubChem CID 22804
    PubChem ID 165419