Marvin  05010817322D          

 20 21  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 11  2  1  0  0  0  0
  6  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  4 15  1  0  0  0  0
  2  5  2  0  0  0  0
  9  5  1  0  0  0  0
  6  8  2  0  0  0  0
 15  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 12 11  2  0  0  0  0
 12 19  1  0  0  0  0
 19 13  1  0  0  0  0
 19 14  1  0  0  0  0
 15 17  1  0  0  0  0
 17 16  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:42638

> <NAME>
flufenamic acid

> <DEFINITION>
An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42631; CHEBI:31619

> <SYNONYM>
N-(alpha,alpha,alpha-trifluoro-m-tolyl)anthranilic acid; N-(3-trifluoromethylphenyl)anthranilic acid; fluphenamic acid; Flufenaminsaeure; Flufenamic acid; FFA; 3'-trifluoromethyldiphenylamine-2-carboxylic acid; 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID; 2-[3-(trifluoromethyl)anilino]benzoic acid

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

> <INN>
flufenamic acid; acidum flufenamicum; acido flufenamico; acide flufenamique

> <BRAND_NAME>
Achless

> <FORMULA>
C14H10F3NO2

> <MASS>
281.22995

> <MONOISOTOPIC_MASS>
281.06636

> <CHARGE>
0

> <SMILES>
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F

> <INCHI>
InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)

> <INCHIKEY>
LPEPZBJOKDYZAD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1996069

> <CAS_REGISTRY_NUMBER>
530-78-9

> <GMELIN_REGISTRY_NUMBER>
1327188

> <REAXYS_REGISTRY_NUMBER>
1996069

> <CHEMIDPLUS>
530-78-9

> <DRUGBANK_ACCESSION>
DB02266

> <KEGG_COMPOUND_ACCESSION>
C13038

> <KEGG_DRUG_ACCESSION>
D01581

> <LINCS_ACCESSION>
LSM-2973

> <NIST_CHEMISTRY_WEBBOOK>
530-78-9

> <PDBECHEM_ACCESSION>
FLF

> <WIKIPEDIA_ACCESSION>
Flufenamic_acid

> <PUBMED_CITATION>
11093589; 15275834; 18436631; 20589945; 28166217

$$$$