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Substance Name: 1,3-Cyclohexanedione, 5-phenyl-2-(phenylacetyl)-
RN: 77054-16-1
InChIKey: KYDUFZZSUUSMLF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H18-O3

Molecular Weight

  • 306.3592
 
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Names and Synonyms

Synonym

  • 5-Phenyl-2-(phenylacetyl)-1,3-cyclohexanedione

Systematic Name

  • 1,3-Cyclohexanedione, 5-phenyl-2-(phenylacetyl)-

Registry Numbers

CAS Registry Number

  • 77054-16-1

System Generated Number

  • 0077054161

Structure Descriptors

InChI

1S/C20H18O3/c21-17(11-14-7-3-1-4-8-14)20-18(22)12-16(13-19(20)23)15-9-5-2-6-10-15/h1-10,16,20H,11-13H2

InChIKey

KYDUFZZSUUSMLF-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CC(=O)C2C(=O)CC(CC2=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 500mg/kg (500mg/kg)   United States Patent Document. Vol. #4421763,
rat LD50 oral > 4gm/kg (4000mg/kg)   United States Patent Document. Vol. #4421763,