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Substance Name: Ethanone, 2,2-dihydroxy-1-(4-((1-methylethyl)thio)phenyl)-
RN: 53066-76-5
InChIKey: PREIAPQJTQLVNN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-O3-S

Molecular Weight

  • 226.2946
 
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Names and Synonyms

Synonyms

  • 2,2-Dihydroxy-1-(4-((1-methylethyl)thio)phenyl)ethanone
  • 4-Isopropylthiophenylglyoxal
  • BRN 1962654

Systematic Name

  • Ethanone, 2,2-dihydroxy-1-(4-((1-methylethyl)thio)phenyl)-

Registry Numbers

CAS Registry Number

  • 53066-76-5

System Generated Number

  • 0053066765

Structure Descriptors

InChI

1S/C11H14O3S/c1-7(2)15-9-5-3-8(4-6-9)10(12)11(13)14/h3-7,11,13-14H,1-2H3

InChIKey

PREIAPQJTQLVNN-UHFFFAOYSA-N

Smiles

CC(C)Sc1ccc(cc1)C(=O)C(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Farmaco, Edizione Scientifica. Vol. 29, Pg. 473, 1974.