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Substance Name: Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)
RN: 27976-15-4
InChIKey: JKHRRGNPYDEKGJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H25-N-O3-S2

Molecular Weight

  • 283.454
 
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Names and Synonyms

Synonyms

  • 2-((3,5,5-Trimethylhexyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2369355

Systematic Name

  • Ethanethiol, 2-((3,5,5-trimethylhexyl)amino)-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 27976-15-4

System Generated Number

  • 0027976154

Structure Descriptors

InChI

1S/C11H25NO3S2/c1-10(9-11(2,3)4)5-6-12-7-8-16-17(13,14)15/h10,12H,5-9H2,1-4H3,(H,13,14,15)

InChIKey

JKHRRGNPYDEKGJ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCC[C@@H](CC(C)(C)C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 251, 1970.