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Substance Name: 1H-Pyrrole-3-carboxylic acid, 1-(4-chlorophenyl)-2,5-dimethyl-
RN: 60217-76-7
InChIKey: CCMUJMMWBQLMFO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-Cl-N-O2

Molecular Weight

  • 249.6958
 
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Names and Synonyms

Synonyms

  • 1-(4-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
  • 5-22-01-00433 (Beilstein Handbook Reference)
  • BRN 0405709

Systematic Name

  • 1H-Pyrrole-3-carboxylic acid, 1-(4-chlorophenyl)-2,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 60217-76-7

System Generated Number

  • 0060217767

Structure Descriptors

InChI

1S/C13H12ClNO2/c1-8-7-12(13(16)17)9(2)15(8)11-5-3-10(14)4-6-11/h3-7H,1-2H3,(H,16,17)

InChIKey

CCMUJMMWBQLMFO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.