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Substance Name: Ethanethiol, 2-((5-(cyclohexyloxy)pentyl)amino)-, hydrogen sulfate (ester)
RN: 21209-25-6
InChIKey: MISILYUNIIMPQU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H27-N-O4-S2

Molecular Weight

  • 325.491
 
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Names and Synonyms

Synonyms

  • 2-(((5-Cyclohexyloxy)pentyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-(((5-Cyclohexyloxy)pentyl)amino)ethyl thiosulfate
  • Thiosulfuric acid, S-(2-((5-(cyclohexyloxy)pentyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-((5-(cyclohexyloxy)pentyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21209-25-6

System Generated Number

  • 0021209256

Structure Descriptors

InChI

1S/C13H27NO4S2/c15-20(16,17)19-12-10-14-9-5-2-6-11-18-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,15,16,17)

InChIKey

MISILYUNIIMPQU-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCOC1CCCCC1

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.