Theophylline sodium acetate

Base Information

• Chemical Name: Theophylline sodium acetate
• CAS No.: 8002-89-9
• Molecular Formula: C7H8N4O2•C2H4O2•Na
• Molecular Weight: 263.24
• European Community (EC) Number: 678-496-9
• UNII: 75YK6TWH9F
• Wikidata: Q27266419
• NCI Thesaurus Code: C73827
• Mol file: 8002-89-9.mol

Synonyms:Theocin soluble;Theophylline sodium acetate;Acet-theocin sodium;UNII-75YK6TWH9F;75YK6TWH9F;Theophyllinum natrium aceticum;8002-89-9;Theophylline sodium acetate [NF];Theophylline, sodium acetate;Theophyllinum natrium aceticum [German];disodium 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-ide acetate;Acetic acid, sodium salt, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione sodium salt;C7-H8-N4-O2.C2-H3-O2.Na;THEOPHYLLINE SODIUM ACETATE [MI];THEOPHYLLINE SODIUM ACETATE ANHYDROUS;T0180;THEOPHYLLINE SODIUM ACETATE [WHO-DD];Q27266419;ACETIC ACID, SODIUM SALT (1:1), MIXT. WITH 3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE SODIUM SALT

Chemical Property of Theophylline sodium acetate

Chemical Property:

• PSA: 101.95000
• LogP: -2.49770
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 284.04974338
• Heavy Atom Count: 19
• Complexity: 394

Purity/Quality:

98%,99%, ^*data from raw suppliers

Theophyllol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)[O-].CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].[Na+].[Na+]