Oxtriphylline

Base Information

• Chemical Name: Oxtriphylline
• CAS No.: 4499-40-5
• Deprecated CAS: 146-71-4,13930-27-3,56553-57-2
• Molecular Formula: C7H7N4O2•C5H14NO
• Molecular Weight: 283.38
• Hs Code.: 2939590000
• European Community (EC) Number: 224-798-7
• NSC Number: 760431
• UNII: 3K045XR58X
• DSSTox Substance ID: DTXSID20894867
• Wikipedia: Choline_theophyllinate
• Wikidata: Q5104342
• NCI Thesaurus Code: C47645
• Pharos Ligand ID: choline theophyllinate
• ChEMBL ID: CHEMBL1200434
• Mol file: 4499-40-5.mol

Synonyms:Brondaxin;Brondecon;Choledyl;Choledyl-SA;choline theophyllinate;cholinetheophyllinate;cholinophyllin;Euspirax;oxtriphylline;oxtripylline-SA;Theobret

Chemical Property of Oxtriphylline

Chemical Property:

• Melting Point: 176-178 °C
• PSA: 90.01000
• LogP: -1.72570
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 283.16443955
• Heavy Atom Count: 20
• Complexity: 415

Purity/Quality:

99% ^*data from raw suppliers

Oxytrimethylline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN1C(=C2C(=NC=N2)N(C1=O)C)[O-].C[N+](C)(C)CCO
• Uses: Bronchodilator. Oxytrimethylline is used in the treatment for chronic asthma.
• Therapeutic Function: Smooth muscle relaxant