Mercurophylline
[CAS# 8012-34-8]

Identification

• Name: Mercurophylline
• Synonyms: Mercuric; Sodium; 1,3-Dimethyl-7H-Purine-2,6-Dione; 3-(2-Methoxypropylcarbamoyl)-1,2,2-Trimethyl-Cyclopentane-1-Carboxylate; Hydroxide; Mercuric
• Molecular Formula: C₂₁H₃₂HgN₅NaO₇
• Molecular Weight: 690.09
• CAS Registry Number: 8012-34-8
• SMILES: N2(C1=C([NH]C=N1)C(=O)N(C2=O)C)C.[CH2-]C(OC)CNC(=O)C3C(C(CC3)(C)C([O-])=O)(C)C.[Na+].[Hg++].[OH-]
• InChI: 1S/C14H24NO4.C7H8N4O2.Hg.Na.H2O/c1-9(19-5)8-15-11(16)10-6-7-14(4,12(17)18)13(10,2)3;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;/h9-10H,1,6-8H2,2-5H3,(H,15,16)(H,17,18);3H,1-2H3,(H,8,9);;;1H2/q-1;;+2;+1;/p-2
• InChIKey: JTDRBSMSKQRBGT-UHFFFAOYSA-L

Properties

• Boiling point: 442.9°C at 760 mmHg (Cal.)
• Flash point: 221.7°C (Cal.)