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Substance Name: 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (alpha,alpha,alpha-trifluoro-m-tolyl) ester
RN: 67369-98-6
InChIKey: KPIGFIICBCBCLE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H19-Cl-F3-N-O4

Molecular Weight

  • 501.886
 
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Names and Synonyms

Synonyms

  • IF-1
  • m-Trifluoromethylphenyl-1-(p-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate

Systematic Name

  • 1H-Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, (alpha,alpha,alpha-trifluoro-m-tolyl) ester

Registry Numbers

CAS Registry Number

  • 67369-98-6

System Generated Number

  • 0067369986

Structure Descriptors

InChI

1S/C26H19ClF3NO4/c1-15-21(14-24(32)35-20-5-3-4-17(12-20)26(28,29)30)22-13-19(34-2)10-11-23(22)31(15)25(33)16-6-8-18(27)9-7-16/h3-13H,14H2,1-2H3

InChIKey

KPIGFIICBCBCLE-UHFFFAOYSA-N

Smiles

c12c(c(CC(Oc3cc(ccc3)C(F)(F)F)=O)c(n1C(c1ccc(Cl)cc1)=O)C)cc(OC)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 307mg/kg (307mg/kg)   International Journal of Clinical Pharmacology and Biopharmacy. Vol. 16, Pg. 235, 1978.