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Substance Name: Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-
RN: 26165-62-8
InChIKey: RDTROARYSPBJMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-Cl-N-O2

Molecular Weight

  • 249.696
 
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Names and Synonyms

Synonym

  • 4-Chloro-3-(2,5-dimethylpyrrol-1-yl)benzoic acid

Systematic Name

  • Benzoic acid, 4-chloro-3-(2,5-dimethylpyrrol-1-yl)-

Registry Numbers

CAS Registry Number

  • 26165-62-8

System Generated Number

  • 0026165628

Structure Descriptors

InChI

1S/C13H12ClNO2/c1-8-3-4-9(2)15(8)12-7-10(13(16)17)5-6-11(12)14/h3-7H,1-2H3,(H,16,17)

InChIKey

RDTROARYSPBJMT-UHFFFAOYSA-N

Smiles

C(c1cc(c(cc1)Cl)n1c(ccc1C)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1130mg/kg (1130mg/kg)   French Demande Patent Document. Vol. #2054474,