Darbufelone mesylate

Base Information

• Chemical Name: Darbufelone mesylate
• CAS No.: 139340-56-0
• Molecular Formula: C18H24N2O2S^.CH4O3S
• Molecular Weight: 428.57
• UNII: 5I2Y40C5PX
• NCI Thesaurus Code: C81062
• ChEMBL ID: CHEMBL109745
• Mol file: 139340-56-0.mol

Synonyms:5-((3,5--bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate;CI 1004;CI-1004;darbufelone;darbufelone mesylate;PD0136095-73

Chemical Property of Darbufelone mesylate

Chemical Property:

• Vapor Pressure: 1.16E-08mmHg at 25°C
• Boiling Point: 584.4 °C at 760 mmHg
• Flash Point: 307.2 °C
• PSA: 161.23000
• LogP: 5.13920
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 428.14396435
• Heavy Atom Count: 28
• Complexity: 609

Purity/Quality:

98%min ^*data from raw suppliers

(Z)-2-AMINO-5-(3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENE)THIAZOL-4(5H)-ONE METHANESULFONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N=C(S2)N.CS(=O)(=O)O
• Isomeric SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)N=C(S2)N.CS(=O)(=O)O
• Uses: Anti-inflammatory; antiarthritic (dual cyclooxygenase and 5-lipoxygenase inhibitor).