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Substance Name: Ethanethiol, 2-(2-(o-ethoxyphenoxy)ethyl)amino-, hydrogen sulfate (ester)
RN: 21224-77-1
InChIKey: GVXPVWQUKZNFJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N-O5-S2

Molecular Weight

  • 321.416
 
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Names and Synonyms

Synonyms

  • 2-((2-(o-Ethoxyphenoxy)ethyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((2-(o-Ethoxyphenoxy)ethyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(2-(o-ethoxyphenoxy)ethyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-77-1

System Generated Number

  • 0021224771

Structure Descriptors

InChI

1S/C12H19NO5S2/c1-2-17-11-5-3-4-6-12(11)18-9-7-13-8-10-19-20(14,15)16/h3-6,13H,2,7-10H2,1H3,(H,14,15,16)

InChIKey

GVXPVWQUKZNFJL-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCOc1c(cccc1)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.