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Substance Name: Hexanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-
RN: 63233-53-4
InChIKey: KTMLPHTWWLQKPI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O3

Molecular Weight

  • 327.3819
 
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Names and Synonyms

Synonyms

  • alpha-(p-Hexanoylamino-o-nitrobenzyl)pyridine
  • N-(3-Nitro-4-(2-pyridinylmethyl)phenyl)hexanamide

Systematic Name

  • Hexanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-

Registry Numbers

CAS Registry Number

  • 63233-53-4

System Generated Number

  • 0063233534

Structure Descriptors

InChI

1S/C18H21N3O3/c1-2-3-4-8-18(22)20-16-10-9-14(17(13-16)21(23)24)12-15-7-5-6-11-19-15/h5-7,9-11,13H,2-4,8,12H2,1H3,(H,20,22)

InChIKey

KTMLPHTWWLQKPI-UHFFFAOYSA-N

Smiles

CCCCCC(=O)Nc1ccc(c(c1)[N+](=O)[O-])Cc2ccccn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4851414,
rat LD50 oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4851414,