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Substance Name: 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-
RN: 125628-93-5
InChIKey: ZPJRQVFLMJNWEB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N-O5

Molecular Weight

  • 239.2257
 
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Names and Synonyms

Synonym

  • 1-(3,4-Dihydroxy-5-nitrophenyl)-1-pentanone

Systematic Name

  • 1-Pentanone, 1-(3,4-dihydroxy-5-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 125628-93-5

System Generated Number

  • 0125628935

Structure Descriptors

InChI

1S/C11H13NO5/c1-2-3-4-9(13)7-5-8(12(16)17)11(15)10(14)6-7/h5-6,14-15H,2-4H2,1H3

InChIKey

ZPJRQVFLMJNWEB-UHFFFAOYSA-N

Smiles

CCCCC(=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.