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Flunixin Meglunine

CAT: 1596-AR-F01687-01Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01687-01Size:25 Units
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CAS Number
42461-84-7
Synonyms
(2R,3R,4R,5S) -6- (methylamino) hexane-1,2,3,4,5-pentaol 2- ((2-methyl-3- (trifluoromethyl) phenyl) amino) nicotinate;2-[[2-Methyl-3- (trifluoromethyl) phenyl]amino]-3-pyridinecarboxylic Acid 1-Deoxy-1- (methylamino) -D-glucitol; 2- (2-Methyl-3-trifluoromethylanilino) nicotinic Acid N-Methyl-D-glucamine Salt; Banamine; Equileve; Finadyne; Flunixin N-Methylglucamine; Sch 14714; Ilium Flunixil; NIH 10250
Molecular Formula
C14H11F3N2O2 C7H17NO5
Molecular Weight
296.25 195.22
API Name
Flunixin

Chemical Information

Flunixin Meglumine

Flunixin meglumine is an organoammonium salt obtained by combining flunixin with one molar equivalent of 1-deoxy-1-(methylamino)-D-glucitol. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine for treatment of horses, cattle and pigs. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It contains a flunixin(1-).

CAS Number42461-84-7
PubChem CID39212
IUPAC Name(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol;2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
Molecular FormulaC21H28F3N3O7
Molecular Weight491.5
Topological Polar Surface Area175
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity510
SMILES
CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
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
InChIKey
MGCCHNLNRBULBU-WZTVWXICSA-N
Chemical Structure
2D Structure
2D structure of Flunixin Meglumine
CAS: 42461-84-7
CID: 39212
Formula: C21H28F3N3O7
MW: 491.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight491.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count9
Exact Mass491.18793473
Monoisotopic Mass491.18793473
Topological Polar Surface Area175 Ų
Heavy Atom Count34
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes