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Substance Name: Benzoic acid, 3,4-dihydroxy-5-nitro-, butyl ester
RN: 125629-02-9
InChIKey: CQCMPUPIHNURLC-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 3,4-dihydroxy-5-nitrobenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125629-02-9

System Generated Number

  • 0125629029

Structure Descriptors

InChI

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

InChIKey

CQCMPUPIHNURLC-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 312mg/kg (312mg/kg)   Helvetica Chimica Acta. Vol. 72, Pg. 952, 1989.