chempirical

Loxoprofen sodium

C15H17NaO3CAS 80382-23-6268.29 g/mol

Open in Covalent MOL file
O−OONa+
Carboxylic acidKetone

Properties

Molecular formula
C15H17NaO3
Molar mass
268.29 g/mol
Exact mass
268.1075 Da
logP
2.41Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
80382-23-6
SMILES
CC(C([O-])=O)c1ccc(CC2CCCC2=O)cc1.[Na+]
InChIKey
IEPGDDWZDRJSIT-UHFFFAOYSA-N
InChI
InChI=1S/C15H18O3.Na/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16;/h5-8,10,13H,2-4,9H2,1H3,(H,17,18);

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

Names and synonyms

8 names
  • Benzeneacetic acid, α-methyl-4-[(2-oxocyclopentyl)methyl]-, sodium salt (1:1)
  • Benzeneacetic acid, α-methyl-4-[(2-oxocyclopentyl)methyl]-, sodium salt
  • CS 600 (antiinflammatory)
  • Sodium loxoprofen
  • CS 600
  • Loxonin
  • Sodium 2-[4-[(2-Oxocyclopentyl)methyl]phenyl]propionate
  • Lobu

Work with Loxoprofen 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

Loxoprofen68767-14-668 % similar 2-Benzylcyclohexanone946-33-847 % similar Naproxen sodium26159-34-241 % similar Flurbiprofen sodium56767-76-140 % similar Ibuprofen15687-27-139 % similar (+)-Ibuprofen51146-56-639 % similar (-)-Ibuprofen51146-57-739 % similar Ibuprofen58560-75-139 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook