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Substance Name: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-
RN: 106971-47-5
InChIKey: RLBYFLHVXMRYDZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-O3-S2

Molecular Weight

  • 278.351
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 106971-47-5

System Generated Number

  • 0106971475

Structure Descriptors

InChI

1S/C13H10O3S2/c1-8(14)11(13-17-6-7-18-13)12(16)9-2-4-10(15)5-3-9/h2-7,15H,1H3

InChIKey

RLBYFLHVXMRYDZ-UHFFFAOYSA-N

Smiles

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

Toxicity

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