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Substance Name: 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-
RN: 42780-06-3
InChIKey: XMZIJZRQONCISB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-Cl-N-O2

Molecular Weight

  • 339.82
 
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Names and Synonyms

Synonyms

  • 1-(4-Chloromethyl)-2-methyl-5-(4-methylphenyl)-1H-pyrrole-3-acetic acid
  • 5-22-03-00292 (Beilstein Handbook Reference)
  • BRN 0432684

Systematic Name

  • 1H-Pyrrole-3-acetic acid, 1-(4-chloromethyl)-2-methyl-5-(4-methylphenyl)-

Registry Numbers

CAS Registry Number

  • 42780-06-3

System Generated Number

  • 0042780063

Structure Descriptors

InChI

1S/C20H18ClNO2/c1-13-3-5-15(6-4-13)19-11-16(12-20(23)24)14(2)22(19)18-9-7-17(21)8-10-18/h3-11H,12H2,1-2H3,(H,23,24)

InChIKey

XMZIJZRQONCISB-UHFFFAOYSA-N

Smiles

n1(c(c(cc1c1ccc(cc1)C)CC(=O)O)C)c1ccc(cc1)Cl

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.
mouse LD50 oral 4gm/kg (4000mg/kg) BEHAVIORAL: ANALGESIA European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 11, Pg. 173, 1976.