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Substance Name: Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester)
RN: 21209-03-0
InChIKey: DKHIPBODAIIIGZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H27-N-O3-S2

Molecular Weight

  • 309.492
 
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Names and Synonyms

Synonyms

  • 2-((5-Cyclohexylpentyl)amino)ethanethiol hydrogen sulfate (ester)
  • NSC 89074
  • S-2-((5-Cyclohexylpentyl)amino)ethyl thiosulfate

Systematic Names

  • Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), -(2-((5-cyclohexylpentyl)amino)ethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 21209-03-0

System Generated Number

  • 0021209030

Structure Descriptors

InChI

1S/C13H27NO3S2/c15-19(16,17)18-12-11-14-10-6-2-5-9-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,15,16,17)

InChIKey

DKHIPBODAIIIGZ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCCC1CCCCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.