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Substance Name: 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-
RN: 100079-25-2
InChIKey: LJPMCPHSTVMALD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O4

Molecular Weight

  • 238.2812
 
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Names and Synonyms

Synonyms

  • 1,2,3-Benzenetriol, 4-(hexylcarbonyl)-
  • 1-(3,4,5-Trihydroxyphenyl)-1-heptanone

Systematic Name

  • 1-Heptanone, 1-(3,4,5-trihydroxyphenyl)-

Registry Numbers

CAS Registry Number

  • 100079-25-2

System Generated Number

  • 0100079252

Structure Descriptors

InChI

1S/C13H18O4/c1-2-3-4-5-6-10(14)9-7-11(15)13(17)12(16)8-9/h7-8,15-17H,2-6H2,1H3

InChIKey

LJPMCPHSTVMALD-UHFFFAOYSA-N

Smiles

CCCCCCC(=O)c1cc(c(c(c1)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #85-199850,