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Substance Name: Ethanethiol, 2-(5-cycloheptylpentyl)amino-, hydrogen sulfate (ester)
RN: 21209-14-3
InChIKey: AAAABHINRQIFEK-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-((5-Cycloheptylpentyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2984040
  • S-2-((5-Cycloheptylpentyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21209-14-3

System Generated Number

  • 0021209143

Structure Descriptors

InChI

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

InChIKey

AAAABHINRQIFEK-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCC1CCCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18mg/kg (18mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.