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Substance Name: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(2-naphthalenyl)-
RN: 106971-43-1
InChIKey: NEARYHLQFDTAGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H12-O2-S2

Molecular Weight

  • 312.4118
 
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Names and Synonyms

Synonyms

  • 2-(1,3-Dithiol-2-ylidene)-1-(2-naphthalenyl)-1,3-butanedione
  • 2-(1,3-Dithiol-2-ylidene)-1-(2-naphthyl)-1,3-butanedione

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106971-43-1

System Generated Number

  • 0106971431

Structure Descriptors

InChI

1S/C17H12O2S2/c1-11(18)15(17-20-8-9-21-17)16(19)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3

InChIKey

NEARYHLQFDTAGP-UHFFFAOYSA-N

Smiles

CC(=O)C(=C1SC=CS1)C(=O)c2ccc3ccccc3c2

Toxicity

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