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Substance Name: Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- (9CI)
RN: 50439-08-2
InChIKey: RWOCMBGJVOHSLJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-F-O4

Molecular Weight

  • 288.273
 
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Names and Synonyms

Synonyms

  • Acide (fluoro-4' phenacetyl)-5 orthocresotinique
  • Acide (fluoro-4' phenacetyl)-5 orthocresotinique [French]
  • BRN 2757744
  • F 1243

Systematic Names

  • 2,3-Cresotic acid, 5-((p-fluorophenyl)acetyl)-
  • Benzoic acid, 5-((4-fluorophenyl)acetyl)-2-hydroxy-3-methyl- (9CI)

Registry Numbers

CAS Registry Number

  • 50439-08-2

System Generated Number

  • 0050439082

Structure Descriptors

InChI

1S/C16H13FO4/c1-9-6-11(8-13(15(9)19)16(20)21)14(18)7-10-2-4-12(17)5-3-10/h2-6,8,19H,7H2,1H3,(H,20,21)

InChIKey

RWOCMBGJVOHSLJ-UHFFFAOYSA-N

Smiles

c1(cc(c(O)c(c1)C)C(O)=O)C(Cc1ccc(F)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 397, 1974.