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Substance Name: Ethanone, 2,2-dihydroxy-1-(4-((3-methylbutyl)thio)phenyl)-
RN: 53066-78-7
InChIKey: NJSYWZXMXREHIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-O3-S

Molecular Weight

  • 254.3482
 
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Names and Synonyms

Synonyms

  • 2,2-Dihydroxy-1-(4-((3-methylbutyl)thio)phenyl)ethanone
  • 4-Isopentylthiophenylglyoxal
  • BRN 1969446

Systematic Name

  • Ethanone, 2,2-dihydroxy-1-(4-((3-methylbutyl)thio)phenyl)-

Registry Numbers

CAS Registry Number

  • 53066-78-7

System Generated Number

  • 0053066787

Structure Descriptors

InChI

1S/C13H18O3S/c1-9(2)7-8-17-11-5-3-10(4-6-11)12(14)13(15)16/h3-6,9,13,15-16H,7-8H2,1-2H3

InChIKey

NJSYWZXMXREHIJ-UHFFFAOYSA-N

Smiles

CC(C)CCSc1ccc(cc1)C(=O)C(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Farmaco, Edizione Scientifica. Vol. 29, Pg. 473, 1974.