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Substance Name: Ethanethiol, 2-(4-(4-ethylcyclohexyl)butyl)amino-, hydrogen sulfate (ester)
RN: 21209-10-9
InChIKey: ASQXJBTYIVTVPP-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-((4-(4-Ethylcyclohexyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2983990
  • S-2-((4-(4-Ethylcyclohexyl)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21209-10-9

System Generated Number

  • 0021209109

Structure Descriptors

InChI

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

InChIKey

ASQXJBTYIVTVPP-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCC1CCC(CC1)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7mg/kg (7mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.