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Substance Name: 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-
RN: 42779-91-9
InChIKey: YVWVNUJEAQMILM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-Cl-N-O2

Molecular Weight

  • 277.7494
 
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Names and Synonyms

Synonyms

  • 1-(3-Chloro-4-methylphenyl)-2,5-dimethyl-1H-pyrrole-3-acetic acid
  • BRN 0411879

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 1-(3-chloro-4-methylphenyl)-2,5-dimethyl-

Registry Numbers

CAS Registry Number

  • 42779-91-9

System Generated Number

  • 0042779919

Structure Descriptors

InChI

1S/C15H16ClNO2/c1-9-4-5-13(8-14(9)16)17-10(2)6-12(11(17)3)7-15(18)19/h4-6,8H,7H2,1-3H3,(H,18,19)

InChIKey

YVWVNUJEAQMILM-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1Cl)n2c(cc(c2C)CC(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1875mg/kg (1875mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.
mouse LD50 oral 1875mg/kg (1875mg/kg) BEHAVIORAL: ANALGESIA European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.