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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(2,4-dimethylphenyl)-
RN: 42780-40-5
InChIKey: BQSNOTOUJRSVMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N-O2

Molecular Weight

  • 257.331
 
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Names and Synonyms

Synonym

  • 2,5-Dimethyl-1-(2,4-dimethylphenyl)-1H-pyrrole-3-acetic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42780-40-5

System Generated Number

  • 0042780405

Structure Descriptors

InChI

1S/C16H19NO2/c1-10-5-6-15(11(2)7-10)17-12(3)8-14(13(17)4)9-16(18)19/h5-8H,9H2,1-4H3,(H,18,19)

InChIKey

BQSNOTOUJRSVMU-UHFFFAOYSA-N

Smiles

n1(c(c(cc1C)CC(=O)O)C)c1c(cc(cc1)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.