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Substance Name: 2,4-Pentanedione, 3-(2,5-dihydroxy-3,4,6-trimethylphenyl)-
RN: 69466-12-2
InChIKey: GQAVKCDNMQXDNY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H18-O4

Molecular Weight

  • 250.2922
 
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Names and Synonyms

Synonyms

  • 3-(2,5-Dihydroxy-3,4,6-trimethylphenyl)-2,4-pentanedione
  • 4-08-00-02824 (Beilstein Handbook Reference)
  • BRN 2132918

Systematic Name

  • 2,4-Pentanedione, 3-(2,5-dihydroxy-3,4,6-trimethylphenyl)-

Registry Numbers

CAS Registry Number

  • 69466-12-2

System Generated Number

  • 0069466122

Structure Descriptors

InChI

1S/C14H18O4/c1-6-7(2)14(18)11(8(3)13(6)17)12(9(4)15)10(5)16/h12,17-18H,1-5H3

InChIKey

GQAVKCDNMQXDNY-UHFFFAOYSA-N

Smiles

Cc1c(c(c(c(c1O)C)C(C(=O)C)C(=O)C)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 325mg/kg (325mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 855, 1987.