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Substance Name: Ethanethiol, 2-(4-(2,4-dichlorophenoxy)butyl)amino-, hydrogen sulfate (ester)
RN: 21208-81-1
InChIKey: SGWQAAWVDXLXNE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-Cl2-N-O4-S2

Molecular Weight

  • 374.307
 
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Names and Synonyms

Synonyms

  • 2-((4-(o,p-Dichlorophenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2164439
  • S-2-((4-(o,p-Dichlorophenoxy)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(4-(2,4-dichlorophenoxy)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21208-81-1

Other Registry Number

  • 116915-10-7

System Generated Number

  • 0021208811

Structure Descriptors

InChI

1S/C12H17Cl2NO4S2/c13-10-3-4-12(11(14)9-10)19-7-2-1-5-15-6-8-20-21(16,17)18/h3-4,9,15H,1-2,5-8H2,(H,16,17,18)

InChIKey

SGWQAAWVDXLXNE-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1c(cc(cc1)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.