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Substance Name: 4-Pyridinecarboxylic acid, 3-(2'-fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl ester
RN: 55418-56-9
InChIKey: RBFXNZUJUUVKET-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H18-F-N-O3

Molecular Weight

  • 363.3862
 
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Names and Synonyms

Synonyms

  • 1-Isonicotinoyloxy-3-(2'-fluoro-4''-biphenylyl)butanone-(2)
  • 3-(2'-Fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl 4-pyridinecarboxylate

Systematic Name

  • 4-Pyridinecarboxylic acid, 3-(2'-fluoro(1,1'-biphenyl)-4-yl)-2-oxobutyl ester

Registry Numbers

CAS Registry Number

  • 55418-56-9

System Generated Number

  • 0055418569

Structure Descriptors

InChI

1S/C22H18FNO3/c1-15(21(25)14-27-22(26)18-10-12-24-13-11-18)16-6-8-17(9-7-16)19-4-2-3-5-20(19)23/h2-13,15H,14H2,1H3

InChIKey

RBFXNZUJUUVKET-UHFFFAOYSA-N

Smiles

CC(c1ccc(cc1)c2ccccc2F)C(=O)COC(=O)c3ccncc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1170mg/kg (1170mg/kg)   United States Patent Document. Vol. #3969523,