chempirical

Flunixin meglumine

C21H28F3N3O7CAS 42461-84-7491.46 g/mol

Open in Covalent MOL file
NHOHOHOHOHOHNHNOOHFFF
AlcoholAlkyl halideCarboxylic acidSecondary amine

Properties

Molecular formula
C21H28F3N3O7
Molar mass
491.46 g/mol
Exact mass
491.1879 Da
Melting point
135–139 °C
logP
0.49Crippen estimate
Polar surface area
175.4 Ų
H-bond donors / acceptors
8 / 9
Rotatable bonds
9
Stereocentres
S, R, R, Rin SMILES atom order

Identifiers

CAS number
42461-84-7
SMILES
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F
InChIKey
MGCCHNLNRBULBU-WZTVWXICSA-N
InChI
InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

Weigh it out

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

Names and synonyms

12 names
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylate (1:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-3-pyridinecarboxylate (salt)
  • 3-Pyridinecarboxylic acid, 2-[[2-methyl-3-(trifluoromethyl)phenyl]amino]-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • 2-(2-Methyl-3-trifluoromethylanilino)nicotinic acid N-methyl-D-glucamine salt
  • Banamine
  • Flunixin N-methylglucamine
  • Finadyne
  • NIH 10250
  • Ilium flunixil
  • Equileve
  • Flunimeg
  • Finadyne RP

Work with Flunixin meglumine

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

Flunixin38677-85-970 % similar Clonixin17737-65-450 % similar 2-Methyl-3-(trifluoromethyl)benzoic acid62089-35-444 % similar Lysine clonixinate55837-30-444 % similar Niflumic acid4394-00-743 % similar Meglumine diatrizoate131-49-740 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-836 % similar Meglumine6284-40-836 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook