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Substance Name: Ethanethiol, 2-(6-phenoxyhexyl)amino-, hydrogen sulfate (ester)
RN: 21220-73-5
InChIKey: YQGZURCHBKZRLT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H23-N-O4-S2

Molecular Weight

  • 333.471
 
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Names and Synonyms

Synonyms

  • 2-((6-Phenoxyhexyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-((6-Phenoxyhexyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(6-phenoxyhexyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21220-73-5

System Generated Number

  • 0021220735

Structure Descriptors

InChI

1S/C14H23NO4S2/c16-21(17,18)20-13-11-15-10-6-1-2-7-12-19-14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H,16,17,18)

InChIKey

YQGZURCHBKZRLT-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCCOc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.