Mrv0541 10301311132D          

 21 22  0  0  0  0            999 V2000
    3.5660   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8515   -1.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660   -2.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805   -1.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2805   -0.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2804   -3.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9949   -2.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9949   -2.0550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2804   -4.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -4.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7093   -4.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7094   -3.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9948   -0.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950    0.4314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6994   -0.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4237   -2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262   -4.5315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1406   -4.9440    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4262   -5.3565    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1406   -4.1190    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  8 13  2  0  0  0  0
  6 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 13 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
> <ID>
CHEBI:76138

> <NAME>
flunixin

> <DEFINITION>
A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a 2-methyl-3-(trifluoromethyl)phenylamino group. A relatively potent non-narcotic, nonsteroidal analgesic with anti-inflammatory, anti-endotoxic and anti-pyretic properties; used in veterinary medicine (usually as the meglumine salt) for treatment of horses, cattle and pigs.

> <STAR>
3

> <SYNONYM>
Sch 14714; 2-(alpha(3),alpha(3),alpha(3)-trifluoro-2,3-xylidino)nicotinic acid; 2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylic acid

> <IUPAC_NAME>
2-{[2-methyl-3-(trifluoromethyl)phenyl]amino}nicotinic acid

> <INN>
flunixinum; flunixino; flunixine; flunixin

> <FORMULA>
C14H11F3N2O2

> <MASS>
296.24450

> <MONOISOTOPIC_MASS>
296.07726

> <CHARGE>
0

> <SMILES>
Cc1c(Nc2ncccc2C(O)=O)cccc1C(F)(F)F

> <INCHI>
InChI=1S/C14H11F3N2O2/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12/h2-7H,1H3,(H,18,19)(H,20,21)

> <INCHIKEY>
NOOCSNJCXJYGPE-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
38677-85-9

> <REAXYS_REGISTRY_NUMBER>
492802

> <CHEMIDPLUS>
38677-85-9

> <KEGG_DRUG_ACCESSION>
D04215

> <WIKIPEDIA_ACCESSION>
Flunixin

> <PUBMED_CITATION>
26512724; 26695354; 27242945; 27731498; 27958751; 2816

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