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Substance Name: 1H-Pyrrole-3-acetic acid, 1-(4-chlorophenyl)-alpha,alpha,2,5-tetramethyl-
RN: 60352-60-5
InChIKey: OREORJPFEHVCDM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-Cl-N-O2

Molecular Weight

  • 291.7762
 
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Names and Synonyms

Synonyms

  • 1-(4-Chlorophenyl)-alpha,alpha,2,5-tetramethyl-1H-pyrrole-3-acetic acid
  • BRN 0414411

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 1-(4-chlorophenyl)-alpha,alpha,2,5-tetramethyl-

Registry Numbers

CAS Registry Number

  • 60352-60-5

System Generated Number

  • 0060352605

Structure Descriptors

InChI

1S/C16H18ClNO2/c1-10-9-14(16(3,4)15(19)20)11(2)18(10)13-7-5-12(17)6-8-13/h5-9H,1-4H3,(H,19,20)

InChIKey

OREORJPFEHVCDM-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3gm/kg (3000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.