Mercumallylic acid theophylline sodium

Base Information

• Chemical Name: Mercumallylic acid theophylline sodium
• CAS No.: 8018-15-3
• Molecular Formula: C14H13HgO6•C7H8N4O2•Na
• Molecular Weight: 681.04
• UNII: 2F2Y83SYO6
• Wikidata: Q27254648
• Mol file: 8018-15-3.mol

Synonyms:MERCUMALLYLIC ACID THEOPHYLLINE SODIUM;Q27254648;MERCUMALLYLIC ACID SODIUM SALT COMPOUND WITH THEOPHYLLINE [MI];MERCURATE(1-), (3-(3-CARBOXYLATO-2-OXO-2H-1-BENZOPYRAN-8-YL)-2-METHOXYPROPYL)(3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE-.KAPPA.N7,.KAPPA.O6)HYDROXY-, SODIUM (1:1), (T-4)-

Chemical Property of Mercumallylic acid theophylline sodium

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 682.096352
• Heavy Atom Count: 35
• Complexity: 682

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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