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Substance Name: Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester
RN: 125629-13-2
InChIKey: HYVXPZNEQQGZCI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N-O6

Molecular Weight

  • 255.2247
 
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Names and Synonyms

Synonym

  • Butyl 2,3-dihydroxy-5-nitrobenzoate

Systematic Name

  • Benzoic acid, 2,3-dihydroxy-5-nitro-, butyl ester

Registry Numbers

CAS Registry Number

  • 125629-13-2

System Generated Number

  • 0125629132

Structure Descriptors

InChI

1S/C11H13NO6/c1-2-3-4-18-11(15)8-5-7(12(16)17)6-9(13)10(8)14/h5-6,13-14H,2-4H2,1H3

InChIKey

HYVXPZNEQQGZCI-UHFFFAOYSA-N

Smiles

CCCCOC(=O)c1cc(cc(c1O)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.