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Substance Name: Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester
RN: 125629-01-8
InChIKey: NJDBUIWQZVNVNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N-O6

Molecular Weight

  • 213.1443
 
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Names and Synonyms

Synonym

  • Methyl 3,4-dihydroxy-5-nitrobenzoate

Systematic Name

  • Benzoic acid, 3,4-dihydroxy-5-nitro-, methyl ester

Registry Numbers

CAS Registry Number

  • 125629-01-8

System Generated Number

  • 0125629018

Structure Descriptors

InChI

1S/C8H7NO6/c1-15-8(12)4-2-5(9(13)14)7(11)6(10)3-4/h2-3,10-11H,1H3

InChIKey

NJDBUIWQZVNVNW-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 156mg/kg (156mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.