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Substance Name: Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester
RN: 125629-04-1
InChIKey: ACPFYBYFZMSBCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-N-O7

Molecular Weight

  • 255.1811
 
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Names and Synonyms

Synonym

  • Ethyl 3,4-dihydroxy-5-nitro-alpha-oxobenzeneacetate

Systematic Name

  • Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, ethyl ester

Registry Numbers

CAS Registry Number

  • 125629-04-1

System Generated Number

  • 0125629041

Structure Descriptors

InChI

1S/C10H9NO7/c1-2-18-10(15)8(13)5-3-6(11(16)17)9(14)7(12)4-5/h3-4,12,14H,2H2,1H3

InChIKey

ACPFYBYFZMSBCK-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=O)c1cc(c(c(c1)O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1250mg/kg (1250mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.