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Substance Name: Benzeneacetic acid, 3,4-dihydroxy-5-nitro-alpha-oxo-, hexyl ester
RN: 125629-06-3
InChIKey: UTGFDKXCQRIQLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H17-N-O7

Molecular Weight

  • 311.2883
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 125629-06-3

System Generated Number

  • 0125629063

Structure Descriptors

InChI

1S/C14H17NO7/c1-2-3-4-5-6-22-14(19)12(17)9-7-10(15(20)21)13(18)11(16)8-9/h7-8,16,18H,2-6H2,1H3

InChIKey

UTGFDKXCQRIQLP-UHFFFAOYSA-N

Smiles

CCCCCCOC(=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.