Mexafylline

Base Information

• Chemical Name: Mexafylline
• CAS No.: 80294-25-3
• Molecular Formula: C14H18N4O2
• Molecular Weight: 274.3183
• UNII: OTS2XT15W3
• DSSTox Substance ID: DTXSID40868565
• Nikkaji Number: J23.260B
• Wikidata: Q27285840
• NCI Thesaurus Code: C87683
• ChEMBL ID: CHEMBL2106912
• Mol file: 80294-25-3.mol

Synonyms:Mexafylline;80294-25-3;Mexafylline [INN];Mexafyllinum;UNII-OTS2XT15W3;OTS2XT15W3;3-(cyclohex-3-en-1-ylmethyl)-1,8-dimethyl-7H-purine-2,6-dione;3-(3-Cyclohexen-1-ylmethyl)-1,8-dimethylxanthine;3-(3-Cyclohexen-1-yl-methyl)-1,8-dimethylxanthine;3-(3-Cyclohexen-1-ylmethyl)-1,8-dimethyl-2,6(1H,3H)-purindion;SCHEMBL1813855;CHEMBL2106912;DTXSID40868565;Q27285840;2,6(1H,3H)-Purinedione, 3-(3-cyclohexen-1-ylmethyl)-1,8-dimethyl-

Chemical Property of Mexafylline

Chemical Property:

• Vapor Pressure: 4.89E-11mmHg at 25°C
• Boiling Point: 523.1°Cat760mmHg
• Flash Point: 270.1°C
• PSA: 72.68000
• Density: 1.29g/cm³
• LogP: 1.08800
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 274.14297583
• Heavy Atom Count: 20
• Complexity: 451

Purity/Quality:

MEXAFYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3CCC=CC3)C