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Substance Name: Ethanethiol, 2-((5-cyclooctyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 21224-46-4
InChIKey: XSQXZMAAAROSMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H31-N-O4-S2

Molecular Weight

  • 337.5459
 
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Names and Synonyms

Synonyms

  • 2-(((5-Cyclooctyloxy)pentyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 1995727
  • S-2-(((5-Cyclooctyloxy)pentyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21224-46-4

System Generated Number

  • 0021224464

Structure Descriptors

InChI

1S/C15H31NO3S2/c17-21(18,19)20-14-13-16-12-8-4-7-11-15-9-5-2-1-3-6-10-15/h15-16H,1-14H2,(H,17,18,19)

InChIKey

XSQXZMAAAROSMX-UHFFFAOYSA-N

Smiles

C1CCCC(CCC1)CCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.
mouse LD50 oral 1800mg/kg (1800mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.