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Substance Name: Ethanone, 1-(4-(butylthio)phenyl)-2,2-dihydroxy-
RN: 53066-77-6
InChIKey: MDOILPHJELYMIW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H16-O3-S

Molecular Weight

  • 240.3214
 
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Names and Synonyms

Synonyms

  • 1-(4-(Butylthio)phenyl)-2,2-dihydroxyethanone
  • 4-Butylthiophenylglyoxal
  • BRN 1964857

Systematic Name

  • Ethanone, 1-(4-(butylthio)phenyl)-2,2-dihydroxy-

Registry Numbers

CAS Registry Number

  • 53066-77-6

System Generated Number

  • 0053066776

Structure Descriptors

InChI

1S/C12H16O3S/c1-2-3-8-16-10-6-4-9(5-7-10)11(13)12(14)15/h4-7,12,14-15H,2-3,8H2,1H3

InChIKey

MDOILPHJELYMIW-UHFFFAOYSA-N

Smiles

CCCCSc1ccc(cc1)C(=O)C(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   Farmaco, Edizione Scientifica. Vol. 29, Pg. 473, 1974.