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Substance Name: Benzenebutanoic acid, alpha-hydroxy-4-nitro-gamma-oxo-
RN: 81008-13-1
InChIKey: MMFZQNVAJIAIDO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-N-O6

Molecular Weight

  • 239.1821
 
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Names and Synonyms

Synonyms

  • 4-(4-Nitrophenyl)-4-oxo-2-hydroxybutanoic acid
  • alpha-Hydroxy-4-nitro-gamma-oxobenzenebutanoic acid

Systematic Name

  • Benzenebutanoic acid, alpha-hydroxy-4-nitro-gamma-oxo-

Registry Numbers

CAS Registry Number

  • 81008-13-1

System Generated Number

  • 0081008131

Structure Descriptors

InChI

1S/C10H9NO6/c12-8(5-9(13)10(14)15)6-1-3-7(4-2-6)11(16)17/h1-4,9,13H,5H2,(H,14,15)

InChIKey

MMFZQNVAJIAIDO-UHFFFAOYSA-N

Smiles

c1cc(ccc1C(=O)CC(C(=O)O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   British UK Patent Application. Vol. #2074575,