Flurbiprofen sodium

C15H12FNaO2CAS 56767-76-1266.25 g/mol

Open in Covalent MOL file
O−OFNa+
Aryl halideCarboxylic acid

Properties

Molecular formula
C15H12FNaO2
Molar mass
266.25 g/mol
Exact mass
266.0719 Da
Melting point
114–116 °C
logP
3.30Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
56767-76-1
SMILES
CC(C([O-])=O)c1ccc(-c2ccccc2)c(F)c1.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

9 names
  • [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, sodium salt (1:1)
  • [1,1′-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, sodium salt
  • Sodium flurbiprofen
  • Sodium 3-fluoro-4-phenylhydratropate
  • Flurbiprofen sodium salt
  • Ocufen
  • 2-Fluoro-α-methyl-4-diphenylacetic acid sodium salt
  • 2-(2-Fluorobiphenyl-4-yl)propionic acid sodium salt
  • Ocuflur

Work with Flurbiprofen sodium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Flurbiprofen5104-49-4Free acid (-)-Flurbiprofen51543-40-9Free acid, defined stereoisomer

Similar compounds

Flurbiprofen axetil91503-79-654 % similar Naproxen sodium26159-34-247 % similar Fenoprofen calcium salt dihydrate53746-45-543 % similar 2-Fluoro-4-biphenylboronic Acid178305-99-242 % similar 2,4-Difluoro-1,1'-biphenyl37847-52-240 % similar Loxoprofen sodium80382-23-640 % similar α-Methyl[1,1′-biphenyl]-4-acetic acid6341-72-639 % similar 4-Bromo-2-fluoro-1,1′-biphenyl41604-19-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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