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Substance Name: Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-
RN: 67376-84-5
InChIKey: QAKLYIFVMRQGJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N2-O4

Molecular Weight

  • 260.2478
 
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Names and Synonyms

Synonyms

  • 2-(3'-Nitro-4'-(1''-pyrrolyl)phenyl)propionic acid
  • alpha-Methyl-3-nitro-4-(1H-pyrrol-1-yl)benzeneacetic acid

Systematic Name

  • Benzeneacetic acid, alpha-methyl-3-nitro-4-(1H-pyrrol-1-yl)-

Registry Numbers

CAS Registry Number

  • 67376-84-5

System Generated Number

  • 0067376845

Structure Descriptors

InChI

1S/C13H12N2O4/c1-9(13(16)17)10-4-5-11(12(8-10)15(18)19)14-6-2-3-7-14/h2-9H,1H3,(H,16,17)

InChIKey

QAKLYIFVMRQGJC-UHFFFAOYSA-N

Smiles

CC(c1ccc(c(c1)[N+](=O)[O-])n2cccc2)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3200mg/kg (3200mg/kg)   United States Patent Document. Vol. #4190665,