chempirical

Phenylbutazone sodium

C19H19N2NaO2CAS 129-18-0330.36 g/mol

Open in Covalent MOL file
C−ONNONa+

Properties

Molecular formula
C19H19N2NaO2
Molar mass
330.36 g/mol
Exact mass
330.1344 Da
logP
0.05Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
129-18-0
SMILES
CCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O.[Na+]
InChIKey
VYOUHDLOIRJOSW-UHFFFAOYSA-N
InChI
InChI=1S/C19H19N2O2.Na/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;/h4-13H,2-3,14H2,1H3;/q-1;+1

Weigh it out

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

Names and synonyms

9 names
  • 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, ion(1-), sodium (1:1)
  • 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, ion(1-), sodium
  • 3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-, sodium deriv.
  • Butazolidine sodium
  • Diphenyldioxobutylpyrazolidine
  • Phenylbutazone, sodium salt
  • Sodium phenylbutazone
  • Sodium butazolidine
  • GP 26872

Work with Phenylbutazone 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

n-Butylbenzene104-51-835 % similar Hexylbenzene1077-16-333 % similar Dodecylbenzene123-01-333 % similar Tridecylbenzene123-02-433 % similar Hexadecylbenzene1459-09-233 % similar Tetradecylbenzene1459-10-533 % similar Heptadecylbenzene14752-75-133 % similar Pentadecylbenzene2131-18-233 % similar

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

Elsewhere

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