Flobufen
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Basic information
- CAS
104941-35-7- Standard SMILES
CC(CC(=O)c1ccc(-c2ccc(F)cc2F)cc1)C(=O)O- InChIKey
FIKVYIRIUOFLLR-UHFFFAOYSA-N- Molecular formula
- C17H14F2O3
- Average molar mass
- 304.29 g/mol
- Monoisotopic mass
- 304.09110063
Overview
antirheumatic drug
Names & identifiers
- Preferred name
- Flobufen
- IUPAC
- 4-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
- English name
- flobufen
- Molecular formula
- C17H14F2O3
- Molecular weight
- 304.29
Names & synonyms
Flobufen112344-52-2VUFB-160660LNC8EZT75VUFB 16066DTXSID70874896RefChem:1407094-(2,4-difluorbiphenylyl)-4-oxo-2-methylbutanoic acidDTXCID8010130204-(2',4'-Difluoro-[1,1'-biphenyl]-4-yl)-2-methyl-4-oxobutanoic acidMFCD008701254-[4-(2,4-difluorophenyl)phenyl]-2-methyl-4-oxobutanoic acid
Show more names
4-(2',4'-Difluorobiphenyl-4-yl)-4-oxo-2-methylbutyric acid2-Methyl-4-(2',4'-difluoro-4-biphenylyl)-4-oxobutyric acid[1,1'-Biphenyl]-4-butanoic acid, 2',4'-difluoro-α-methyl-γ-oxo-
104941-35-72',4'-Difluoro-alpha-methyl-gamma-oxo-(1,1'-biphenyl)-4-butanoic acid(1,1'-Biphenyl)-4-butanoic acid, 2',4'-difluoro-alpha-methyl-gamma-oxo-VUFB16066UNII-0LNC8EZT75BRN 45222443-(4-(2,4-Difluorophenyl)benzoyl)-2-methylpropionic acidC17H14F2O3
Database identifiers
- CAS
104941-35-7、112344-52-2- PubChem CID
- 159476
- DTXSID
DTXSID70874896- UNII
- 0LNC8EZT75
- Nikkaji
- J391.760F
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- Boiling point
- 456.5 · 456.5±40.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- pka
- 4.49 · 4.49±0.23(Predicted)
- form
- Solid
- FDA UNII
- 0 LNC8EZT75 · 0LNC8EZT75
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationDrugs that are used to treat RHEUMATOID ARTHRITIS.
Applications
UsesFlobufen (VUFB 16066) is a non-steroidal anti-inflammatory agent and cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) inhibitor agent. Flobufen inhibits alloantigen-driven cellular immune responses and stimulates phagocytosis of peritoneal cells. Flobufen can improve immunopathological disorders and has an inhibitory effect on rheumatoid arthritis[1][2][3].
Related reactions
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Compound notes
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