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Substance Name: Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-
RN: 26180-28-9
InChIKey: NJPUZFUOUGTNOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-N-O2

Molecular Weight

  • 215.251
 
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Names and Synonyms

Synonym

  • m-(2,5-Dimethylpyrrol-1-yl)benzoic acid

Systematic Name

  • Benzoic acid, m-(2,5-dimethylpyrrol-1-yl)-

Registry Numbers

CAS Registry Number

  • 26180-28-9

System Generated Number

  • 0026180289

Structure Descriptors

InChI

1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)

InChIKey

NJPUZFUOUGTNOV-UHFFFAOYSA-N

Smiles

C(c1cc(ccc1)n1c(ccc1C)C)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1600mg/kg (1600mg/kg)   French Demande Patent Document. Vol. #2054474,