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Substance Name: 2,4-Pentanedione, 3-vanillyl-
RN: 30881-23-3
InChIKey: IFGDRUTWCITGHG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O4

Molecular Weight

  • 236.265
 
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Names and Synonyms

Synonyms

  • 2,4-Pentanedione, 3-((4-hydroxy-3-methoxyphenyl)methyl)-
  • 3-(3'-Methoxy-4'-hydroxybenzyl)-2,4-pentandion
  • 3-(3'-Methoxy-4'-hydroxybenzyl)-2,4-pentandion [German]
  • 3-Vanillyl-2,4-pentanedione

Systematic Name

  • 2,4-Pentanedione, 3-vanillyl-

Registry Numbers

CAS Registry Number

  • 30881-23-3

System Generated Number

  • 0030881233

Structure Descriptors

InChI

1S/C13H16O4/c1-8(14)11(9(2)15)6-10-4-5-12(16)13(7-10)17-3/h4-5,7,11,16H,6H2,1-3H3

InChIKey

IFGDRUTWCITGHG-UHFFFAOYSA-N

Smiles

CC(C(C(C)=O)Cc1cc(OC)c(O)cc1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1500mg/kg (1500mg/kg)   German Offenlegungsschrift Patent Document. Vol. #2035334,