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Substance Name: 1H-Pyrrole-3-acetic acid, 1-(2-furanylmethyl)-2,5-dimethyl-
RN: 42780-20-1
InChIKey: MCXUKXFRCKJQQQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H15-N-O3

Molecular Weight

  • 233.266
 
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Names and Synonyms

Synonyms

  • 1-(2-Furanylmethyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid
  • 5-22-01-00442 (Beilstein Handbook Reference)
  • BRN 0413596

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42780-20-1

System Generated Number

  • 0042780201

Structure Descriptors

InChI

1S/C13H15NO3/c1-9-6-11(7-13(15)16)10(2)14(9)8-12-4-3-5-17-12/h3-6H,7-8H2,1-2H3,(H,15,16)

InChIKey

MCXUKXFRCKJQQQ-UHFFFAOYSA-N

Smiles

n1(c(c(cc1C)CC(=O)O)C)Cc1occc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.