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Substance Name: Ethanethiol, 2-((5-cycloheptyloxy)pentylamino)-, hydrogen sulfate (ester)
RN: 21224-45-3
InChIKey: WSQGOWIPESTIOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O4-S2

Molecular Weight

  • 339.518
 
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Names and Synonyms

Synonyms

  • 2-((5-Cycloheptyloxy)pentylamino)ethanethiol hydrogen sulfate (ester)
  • BRN 1992297
  • S-2-(((5-Cycloheptyloxy)pentyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-((5-cycloheptyloxy)pentylamino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21224-45-3

System Generated Number

  • 0021224453

Structure Descriptors

InChI

1S/C14H29NO4S2/c16-21(17,18)20-13-11-15-10-6-3-7-12-19-14-8-4-1-2-5-9-14/h14-15H,1-13H2,(H,16,17,18)

InChIKey

WSQGOWIPESTIOY-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCOC1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.