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Substance Name: 5-Isothiazolecarboxylic acid, 4-hydroxy-3-(3-(trifluoromethyl)phenyl)-
RN: 82424-19-9
InChIKey: FORIQZLHSAYXLI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H6-F3-N-O3-S

Molecular Weight

  • 289.2324
 
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Names and Synonyms

Synonym

  • 4-Hydroxy-3-(3-(trifluoromethyl)phenyl)-5-isothiazolecarboxylic acid

Systematic Name

  • 5-Isothiazolecarboxylic acid, 4-hydroxy-3-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 82424-19-9

System Generated Number

  • 0082424199

Structure Descriptors

InChI

1S/C11H6F3NO3S/c12-11(13,14)6-3-1-2-5(4-6)7-8(16)9(10(17)18)19-15-7/h1-4,16H,(H,17,18)

InChIKey

FORIQZLHSAYXLI-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)C(F)(F)F)c2c(c(sn2)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 727mg/kg (727mg/kg)   United States Patent Document. Vol. #4346094,