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Substance Name: 1H-Pyrrole-3-acetic acid, 2,5-dimethyl-1-(diphenylmethyl)-
RN: 42780-21-2
InChIKey: KRVVGMPUBYDJRO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O2

Molecular Weight

  • 319.402
 
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Names and Synonyms

Synonyms

  • 2,5-Dimethyl-1-(diphenylmethyl)-1H-pyrrole-3-acetic acid
  • BRN 0428345

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42780-21-2

System Generated Number

  • 0042780212

Structure Descriptors

InChI

1S/C21H21NO2/c1-15-13-19(14-20(23)24)16(2)22(15)21(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,21H,14H2,1-2H3,(H,23,24)

InChIKey

KRVVGMPUBYDJRO-UHFFFAOYSA-N

Smiles

n1(c(c(cc1C)CC(=O)O)C)C(c1ccccc1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2450mg/kg (2450mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.