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Substance Name: Ethanethiol, 2-(7-cyclopentylheptyl)amino-, hydrogen sulfate (ester)
RN: 21209-08-5
InChIKey: AUYGGAVPNCGUSB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O3-S2

Molecular Weight

  • 323.519
 
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Names and Synonyms

Synonyms

  • 2-((7-Cyclopentylheptyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 3058340
  • S-2-((7-Cyclopentylheptyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21209-08-5

System Generated Number

  • 0021209085

Structure Descriptors

InChI

1S/C14H29NO3S2/c16-20(17,18)19-13-12-15-11-7-3-1-2-4-8-14-9-5-6-10-14/h14-15H,1-13H2,(H,16,17,18)

InChIKey

AUYGGAVPNCGUSB-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCCCC1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13mg/kg (13mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.