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Substance Name: ICI 47776
RN: 5518-90-1
InChIKey: OIRMDVGYMAEKRO-POHAHGRESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H9-F-O3-S

Molecular Weight

  • 264.275
 
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Names and Synonyms

Results Name

  • ICI 47776

Synonyms

  • 2(5H)-Thiophene, 3-acetyl-5-((4-fluorophenyl)methylene)-4-hydroxy-
  • 2,4-Pentadienoic acid, 2-acetyl-5-(p-fluorophenyl)-3-hydroxy-4-mercapto-, gamma-(thio lactone)
  • 3-Acetyl-5-(p-fluorobenzylidene)-4-hydroxy-2(5H)-thiophenone
  • 3-Acetyl-5-p-fluorobenzylidene-2,5-dihydro-4-hydroxy-2-oxothiophen
  • BRN 1249699
  • ICI 47776

Systematic Name

  • 2(5H)-Thiophenone, 3-acetyl-5-(p-fluorobenzylidene)-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 5518-90-1

System Generated Number

  • 0005518901

Structure Descriptors

InChI

1S/C13H9FO3S/c1-7(15)11-12(16)10(18-13(11)17)6-8-2-4-9(14)5-3-8/h2-6,16H,1H3/b10-6-

InChIKey

OIRMDVGYMAEKRO-POHAHGRESA-N

Smiles

C1(C(=C(\C(S1)=C\c1ccc(cc1)F)O)C(=O)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD oral > 20mg/kg (20mg/kg)   Journal of the Chemical Society, Section C: Organic. Vol. (12), Pg. 1501, 1968.