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Substance Name: Ethanethiol, 2-(4-cyclohexylbutyl)amino-, hydrogen sulfate (ester), sodium salt, hydrate
RN: 21208-98-0
InChIKey: MTEIFEIFHZWAEO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H24-N-O3-S2.Na.H2-O

Molecular Weight

  • 317.448
 
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Names and Synonyms

Synonyms

  • 2-((4-Cyclohexylbutyl)amino)ethanethiol sodium hydrogen sulfate (ester) hydrate
  • S-2-((4-Cyclohexylbutyl)amino)ethyl sodium thiosulfate hydrate

Systematic Name

  • Ethanethiol, 2-(4-cyclohexylbutyl)amino-, hydrogen sulfate (ester), sodium salt, hydrate

Registry Numbers

CAS Registry Number

  • 21208-98-0

System Generated Number

  • 0021208980

Molecular Formulas

Molecular Formula

  • C12-H24-N-O3-S2.Na.H2-O

Molecular Formula Fragments

  • C12-H24-N-O3-S2
  • COMPONENT
  • H2-O
  • Na

Structure Descriptors

InChI

1S/C12H25NO3S2.Na/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12;/h12-13H,1-11H2,(H,14,15,16);/q;+1/p-1

InChIKey

MTEIFEIFHZWAEO-UHFFFAOYSA-M

Smiles

[Na+].S(=O)(=O)([O-])SCCNCCCCC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 15mg/kg (15mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.