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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-
RN: 42779-79-3
InChIKey: RBLZIHJRQKFLRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-F3-N-O2

Molecular Weight

  • 297.2746
 
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Names and Synonyms

Synonyms

  • 2,5-Dimethyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrrole-3-acetic acid
  • BRN 0431032

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(3-(trifluoromethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 42779-79-3

System Generated Number

  • 0042779793

Structure Descriptors

InChI

1S/C15H14F3NO2/c1-9-6-11(7-14(20)21)10(2)19(9)13-5-3-4-12(8-13)15(16,17)18/h3-6,8H,7H2,1-2H3,(H,20,21)

InChIKey

RBLZIHJRQKFLRG-UHFFFAOYSA-N

Smiles

Cc1cc(c(n1c2cccc(c2)C(F)(F)F)C)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3600mg/kg (3600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.