chempirical

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

Identifiers

CAS number
56767-76-1
SMILES
CC(C([O-])=O)c1ccc(-c2ccccc2)c(F)c1.[Na+]
InChIKey
CGCMNXTUJNJYIY-UHFFFAOYSA-N
InChI
InChI=1S/C15H13FO2.Na/c1-10(15(17)18)12-7-8-13(14(16)9-12)11-5-3-2-4-6-11;/h2-10H,1H3,(H,17,18);

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Similar compounds

Flurbiprofen5104-49-467 % similar (-)-Flurbiprofen51543-40-967 % similar Flurbiprofen axetil91503-79-654 % similar Naproxen sodium26159-34-247 % similar Fenoprofen calcium salt dihydrate53746-45-543 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook