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Substance Name: Ethanethiol, 2-((3-aminopropyl)amino)-, hydrogen sulfate (ester), hydrochloride
RN: 23545-56-4
InChIKey: XXXGPFXKOBROPZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H14-N2-O3-S2.Cl-H

Molecular Weight

  • 250.77
 
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Names and Synonyms

Synonyms

  • S-2-((3-Aminopropyl)amino)ethyl hydrogen thiosulfate hydrochloride
  • Thiosulfuric acid, S-(2-((3-aminopropyl)amino)ethyl) ester, hydrochloride

Systematic Name

  • Ethanethiol, 2-((3-aminopropyl)amino)-, hydrogen sulfate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 23545-56-4

System Generated Number

  • 0023545564

Molecular Formulas

Molecular Formula

  • C5-H14-N2-O3-S2.Cl-H

Molecular Formula Fragments

  • C5-H14-N2-O3-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C5H14N2O3S2.ClH/c6-2-1-3-7-4-5-11-12(8,9)10;/h7H,1-6H2,(H,8,9,10);1H

InChIKey

XXXGPFXKOBROPZ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCN)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 700mg/kg (700mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 236, 1969.