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Substance Name: 1H-Pyrrole-3-acetic acid, 1-(4-(carboxymethyl)phenyl)-2,5-dimethyl-
RN: 42779-96-4
InChIKey: PEVYZSVVOUNIJU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O4

Molecular Weight

  • 287.3133
 
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Names and Synonyms

Synonyms

  • 1-(4-(Carboxymethyl)phenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid
  • BRN 0422926

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42779-96-4

System Generated Number

  • 0042779964

Structure Descriptors

InChI

1S/C16H17NO4/c1-10-7-13(9-16(20)21)11(2)17(10)14-5-3-12(4-6-14)8-15(18)19/h3-7H,8-9H2,1-2H3,(H,18,19)(H,20,21)

InChIKey

PEVYZSVVOUNIJU-UHFFFAOYSA-N

Smiles

Cc1cc(c(n1c2ccc(cc2)CC(=O)O)C)CC(=O)O

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.