Mercumatilin

Molecular Formula: C₂₁H₂₂HgN₄NaO₈

InChI: InChI=1/C14H13O5.C7H8N4O2.Hg.Na.H2O/c1-8(18-2)6-9-4-3-5-10-7-11(13(15)16)14(17)19-12(9)10;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;/h3-5,7-8H,1,6H2,2H3,(H,15,16);3H,1-2H3,(H,8,9);;;1H2/q;;;+1;/p-1/fC14H12O5.C7H8N4O2.Hg.Na.H2O/h;8H;;;/q-1;;;m;/rC14H13HgO5.C7H8N4O2.Na.H2O/c1-19-10(7-15)5-8-3-2-4-9-6-11(13(16)17)14(18)20-12(8)9;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;/h2-4,6,10H,5,7H2,1H3,(H,16,17);3H,1-2H3,(H,8,9);;1H2/q;;+1;/p-1/fC14H12HgO5.C7H8N4O2.Na.H2O/h;8H;;/q-1;;m;

InChIKey: InChIKey=SGLZWZOFNVYMPV-DNDRDCHCCJ
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC(CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)[O-])C[Hg].O.[Na+]

Names:
    Cumertilin sodium
    Mercumallylic acid sodium slt compd. with theophylline
    Mercumallylic acid, theophylline sodium
    Mercumatilina sodica [INN-Spanish]
    Mercumatiline sodique [INN-French]
    Mercumatilinum natricum [INN-Latin]
    Mercumatilin sodium
    Mercumatilin
    sodium; [3-(3-carboxylato-2-oxo-chromen-8-yl)-2-methoxy-propyl]mercury; 1,3-dimethyl-7H-purine-2,6-dione; hydrate
    2H-1-BENZOPYRAN-3-CARBOXYLIC ACID, 8-(3-(HYDROXYMERCURI)-2-METHOXYPROPYL)-2-OXO-
    8-(gamma-Hydroxymercuri-beta-methoxypropyl)-3-coumarincarboxylic acid theophylline sodium

Registries:
    PubChem CID 11947633
    PubChem ID 167287