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Substance Name: Ethanethiol, 2-((4-cyclohexylhexyl)amino)-, hydrogen sulfate (ester)
RN: 21209-13-2
InChIKey: AWFWHVOKYNWVOU-ZDUSSCGKSA-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-(((4-Cyclohexyl-4-ethyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • S-2-(((4-Cyclohexyl-4-ethyl)butyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-((4-cyclohexylhexyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21209-13-2

System Generated Number

  • 0021209132

Structure Descriptors

InChI

1S/C14H29NO3S2/c1-2-13(14-7-4-3-5-8-14)9-6-10-15-11-12-18-20(16,17)19/h13-15H,2-12H2,1H3,(H,16,17,19)/t13-/m0/s1

InChIKey

AWFWHVOKYNWVOU-ZDUSSCGKSA-N

Smiles

O=[S@@](OCCNCCC[C@H](CC)C1CCCCC1)(O)=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.