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Substance Name: 1H-Pyrrole-3-acetic acid, 1-(4-chlorophenyl)-alpha,2,5-trimethyl-
RN: 42780-43-8
InChIKey: PFCHOUQUXDZKQF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-Cl-N-O2

Molecular Weight

  • 277.749
 
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Names and Synonyms

Synonyms

  • 1-(4-Chlorophenyl)-alpha,2,5-trimethyl-1H-pyrrole-3-acetic acid
  • 5-22-01-00452 (Beilstein Handbook Reference)
  • BRN 0411865

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 42780-43-8

System Generated Number

  • 0042780438

Structure Descriptors

InChI

1S/C15H16ClNO2/c1-9-8-14(10(2)15(18)19)11(3)17(9)13-6-4-12(16)5-7-13/h4-8,10H,1-3H3,(H,18,19)

InChIKey

PFCHOUQUXDZKQF-UHFFFAOYSA-N

Smiles

n1(c(c(cc1C)[C@@H](C(=O)O)C)C)c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2250mg/kg (2250mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.