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Substance Name: Ethanethiol, 2-(7-cycloheptylheptyl)amino-, hydrogen sulfate (ester)
RN: 21209-16-5
InChIKey: AUHFJVPFZBSCTD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H33-N-O3-S2

Molecular Weight

  • 351.573
 
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Names and Synonyms

Synonyms

  • 2-((7-Cycloheptylheptyl)amino)ethanethiol hydrogensulfate (ester)
  • S-2-((7-Cycloheptylheptyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(7-cycloheptylheptyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21209-16-5

System Generated Number

  • 0021209165

Structure Descriptors

InChI

1S/C16H33NO3S2/c18-22(19,20)21-15-14-17-13-9-5-1-2-6-10-16-11-7-3-4-8-12-16/h16-17H,1-15H2,(H,18,19,20)

InChIKey

AUHFJVPFZBSCTD-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCCCC1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 23mg/kg (23mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.