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Substance Name: Ethanethiol, 2-((4-(o-chlorophenoxy)butyl)amino)-, hydrogen sulfate (ester)
RN: 21224-70-4
InChIKey: ISZBMYNBANVCOA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-Cl-N-O4-S2

Molecular Weight

  • 339.862
 
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Names and Synonyms

Synonyms

  • 2-((4-(o-Chlorophenoxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2161018
  • S-2-((4-(o-Chlorophenoxy)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21224-70-4

System Generated Number

  • 0021224704

Structure Descriptors

InChI

1S/C12H18ClNO4S2/c13-11-5-1-2-6-12(11)18-9-4-3-7-14-8-10-19-20(15,16)17/h1-2,5-6,14H,3-4,7-10H2,(H,15,16,17)

InChIKey

ISZBMYNBANVCOA-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1c(cccc1)Cl

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.