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Substance Name: Ethanethiol, 2-(4-(o-tolyloxy)butyl)amino-, hydrogen sulfate (ester)
RN: 19143-01-2
InChIKey: VPSIMYIIZAETSN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O4-S2

Molecular Weight

  • 319.444
 
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Names and Synonyms

Synonyms

  • 2-((4-(o-Tolyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2157429
  • S-2-((4-(o-Tolyloxy)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 19143-01-2

System Generated Number

  • 0019143012

Structure Descriptors

InChI

1S/C13H21NO4S2/c1-12-6-2-3-7-13(12)18-10-5-4-8-14-9-11-19-20(15,16)17/h2-3,6-7,14H,4-5,8-11H2,1H3,(H,15,16,17)

InChIKey

VPSIMYIIZAETSN-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOc1c(cccc1)C

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.