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Substance Name: Benzoic acid, m-(2-(p-bromophenyl)-5-methylpyrrol-1-yl)-
RN: 26165-59-3
InChIKey: XMDHKGQVRBXHFE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-Br-N-O2

Molecular Weight

  • 356.218
 
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Names and Synonyms

Synonym

  • m-(2-(p-Bromophenyl)-5-methylpyrrol-1-yl)benzoic acid

Systematic Name

  • Benzoic acid, m-(2-(p-bromophenyl)-5-methylpyrrol-1-yl)-

Registry Numbers

CAS Registry Number

  • 26165-59-3

System Generated Number

  • 0026165593

Structure Descriptors

InChI

1S/C18H14BrNO2/c1-12-5-10-17(13-6-8-15(19)9-7-13)20(12)16-4-2-3-14(11-16)18(21)22/h2-11H,1H3,(H,21,22)

InChIKey

XMDHKGQVRBXHFE-UHFFFAOYSA-N

Smiles

C(c1cc(ccc1)n1c(ccc1C)c1ccc(cc1)Br)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2411mg/kg (2411mg/kg)   French Demande Patent Document. Vol. #2054474,