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Substance Name: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-
RN: 100673-15-2
InChIKey: VFBCUVNRCVQOJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-O3-S2

Molecular Weight

  • 292.3778
 
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Names and Synonyms

Synonym

  • 2-(1,3-Dithiol-2-ylidene)-1-(4-methoxyphenyl)-1,3-butanedione

Systematic Name

  • 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 100673-15-2

System Generated Number

  • 0100673152

Structure Descriptors

InChI

1S/C14H12O3S2/c1-9(15)12(14-18-7-8-19-14)13(16)10-3-5-11(17-2)6-4-10/h3-8H,1-2H3

InChIKey

VFBCUVNRCVQOJD-UHFFFAOYSA-N

Smiles

CC(=O)C(=C1SC=CS1)C(=O)c2ccc(cc2)OC

Toxicity

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