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Substance Name: Ethanethiol, 2-((4-cyclohexyl-2-ethylbutyl)amino)-, hydrogen sulfate (ester)
RN: 19142-97-3
InChIKey: TUIGBGJYHYKMGM-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-Cyclohexyl-2-ethyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2984007
  • S-2-(((4-Cyclohexyl-2-ethyl)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 19142-97-3

System Generated Number

  • 0019142973

Structure Descriptors

InChI

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

InChIKey

TUIGBGJYHYKMGM-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNC[C@@H](CCC1CCCCC1)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 44mg/kg (44mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.