Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Darbufelone mesylate [USAN:INN]
RN: 139340-56-0
UNII: 5I2Y40C5PX
InChIKey: BAZGFSKJAVQJJI-CHHCPSLASA-N

Classification Codes

  • Anti-Inflammatory
  • Antiarthritic
  • Antiarthritic (Dual Cyclooxygenase and 5-Lipoxygenase Inhibitor)

Molecular Formula

  • C18-H24-N2-O2.C-H4-O3-S

Molecular Weight

  • 428.571
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • CI 1004
  • Darbufelone mesylate
  • Darbufelone mesylate [USAN:INN]

Synonyms

  • (Z)-2-Amino-5-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-4(5H)-thiazolone monomethanesulfonate (salt)
  • 5-((3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-2-imino-4-thiazolidinone methanesulfonate
  • 5-((Z)-3,5-Di-tert-butyl-4-hydroxybenzylidene)-2-imino-4-thiazolidinone monomethanesulfonate (salt)
  • CI-1004
  • Darbufelone mesylate
  • UNII-5I2Y40C5PX

Registry Numbers

CAS Registry Number

  • 139340-56-0

FDA UNII

  • 5I2Y40C5PX

System Generated Number

  • 0139340560

Molecular Formulas

Molecular Formula

  • C18-H24-N2-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C18-H24-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C18H24N2O2S.CH4O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13;1-5(2,3)4/h7-9,21H,1-6H3,(H2,19,20,22);1H3,(H,2,3,4)/b13-9-;

InChIKey

BAZGFSKJAVQJJI-CHHCPSLASA-N

Smiles

CS(=O)(=O)O.S1C(=NC(\C1=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)=O)N