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Substance Name: 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-
RN: 100673-21-0
InChIKey: QHAKKXVLIYDHKF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-O2-S2

Molecular Weight

  • 268.3994
 
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Names and Synonyms

Synonyms

  • 1-Cyclohexyl-2-(1,3-dithiol-2-ylidene)-1,3-butanedione
  • 2-(1,3-Dithiol-2-ylidene)-1-cyclohexyl-1,3-butanedione

Systematic Name

  • 1,3-Butanedione, 1-cyclohexyl-2-(1,3-dithiol-2-ylidene)-

Registry Numbers

CAS Registry Number

  • 100673-21-0

System Generated Number

  • 0100673210

Structure Descriptors

InChI

1S/C13H16O2S2/c1-9(14)11(13-16-7-8-17-13)12(15)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3

InChIKey

QHAKKXVLIYDHKF-UHFFFAOYSA-N

Smiles

CC(=O)C(=C1SC=CS1)C(=O)C2CCCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #4668799,