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Substance Name: Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, butyl ester
RN: 125629-05-2
InChIKey: AIOREHSQHZGAEV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O7

Molecular Weight

  • 283.2347
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125629-05-2

System Generated Number

  • 0125629052

Structure Descriptors

InChI

1S/C12H13NO7/c1-2-3-4-20-12(17)10(15)7-5-8(13(18)19)11(16)9(14)6-7/h5-6,14,16H,2-4H2,1H3

InChIKey

AIOREHSQHZGAEV-UHFFFAOYSA-N

Smiles

CCCCOC(=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 2500mg/kg (2500mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.