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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(2,4,6-trimethylphenyl)-
RN: 42780-39-2
InChIKey: LFRPOGIEKIVJQI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N-O2

Molecular Weight

  • 271.358
 
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Names and Synonyms

Synonyms

  • 2,5-Dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrole-3-acetic acid
  • BRN 0418815

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(2,4,6-trimethylphenyl)-

Registry Numbers

CAS Registry Number

  • 42780-39-2

System Generated Number

  • 0042780392

Structure Descriptors

InChI

1S/C17H21NO2/c1-10-6-11(2)17(12(3)7-10)18-13(4)8-15(14(18)5)9-16(19)20/h6-8H,9H2,1-5H3,(H,19,20)

InChIKey

LFRPOGIEKIVJQI-UHFFFAOYSA-N

Smiles

n1(c(c(cc1C)CC(=O)O)C)c1c(cc(cc1C)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.