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Substance Name: 2,5-Cyclohexadiene-1,4-dione, 2-(1-acetyl-2-oxopropyl)-3,5,6-trimethyl-
RN: 101969-84-0
InChIKey: QVOZIORCXZEETA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-O4

Molecular Weight

  • 248.2764
 
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Names and Synonyms

Synonyms

  • 2-(1-Acetyl-2-oxopropyl)-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dione
  • BRN 2132917

Systematic Name

  • 2,5-Cyclohexadiene-1,4-dione, 2-(1-acetyl-2-oxopropyl)-3,5,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 101969-84-0

System Generated Number

  • 0101969840

Structure Descriptors

InChI

1S/C14H16O4/c1-6-7(2)14(18)11(8(3)13(6)17)12(9(4)15)10(5)16/h12H,1-5H3

InChIKey

QVOZIORCXZEETA-UHFFFAOYSA-N

Smiles

CC1=C(C(=O)C(=C(C1=O)C)C(C(=O)C)C(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 410mg/kg (410mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 855, 1987.