8-Theophylline mercuric acetate
[CAS# 6336-12-5]

Identification

• Name: 8-Theophylline mercuric acetate
• Synonyms: Acetoxy-(1,3-Dimethyl-2,6-Dioxo-Imidazo[4,5-B]Pyrazin-7-Yl)Mercury; Acetoxy-(1,3-Dimethyl-2,6-Dioxo-7-Imidazo[4,5-B]Pyrazinyl)Mercury; Acetoxy-(2,6-Diketo-1,3-Dimethyl-Imidazo[4,5-B]Pyrazin-7-Yl)Mercury
• Molecular Formula: C₉H₁₀HgN₄O₄
• Molecular Weight: 438.79
• CAS Registry Number: 6336-12-5
• SMILES: CN1C2=C(N(C1=O)C)N=CC(=O)N2[Hg]OC(=O)C
• InChI: 1S/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;;+2/p-2
• InChIKey: WMZHBFXXMHFCRO-UHFFFAOYSA-L