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Substance Name: Butyric acid, 2-(4-chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)-
RN: 17959-86-3
InChIKey: YMUUKELKTDCYSV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl-F3-N-O4

Molecular Weight

  • 401.767
 
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Names and Synonyms

Synonyms

  • 2-(4-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)butyric acid
  • BRN 2403264

Systematic Name

  • Butyric acid, 2-(4-chloro-2-(alpha,alpha,alpha-trifluoro-m-toluamido)phenoxy)-

Registry Numbers

CAS Registry Number

  • 17959-86-3

System Generated Number

  • 0017959863

Structure Descriptors

InChI

1S/C18H15ClF3NO4/c1-2-14(17(25)26)27-15-7-6-12(19)9-13(15)23-16(24)10-4-3-5-11(8-10)18(20,21)22/h3-9,14H,2H2,1H3,(H,23,24)(H,25,26)

InChIKey

YMUUKELKTDCYSV-UHFFFAOYSA-N

Smiles

c1(c(NC(c2cc(ccc2)C(F)(F)F)=O)cc(Cl)cc1)O[C@@H](C(O)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 22, Pg. 684, 1970.