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Substance Name: Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, methyl ester
RN: 125629-03-0
InChIKey: QEHKYYHDAICLGU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H7-N-O7

Molecular Weight

  • 241.1543
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125629-03-0

System Generated Number

  • 0125629030

Structure Descriptors

InChI

1S/C9H7NO7/c1-17-9(14)7(12)4-2-5(10(15)16)8(13)6(11)3-4/h2-3,11,13H,1H3

InChIKey

QEHKYYHDAICLGU-UHFFFAOYSA-N

Smiles

COC(=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 2gm/kg (2000mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.