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Substance Name: Ethanethiol, 2-(4-cyclohexylbutyl)amino-, hydrogen sulfate (ester)
RN: 19142-99-5
InChIKey: ZXQNHZRSLAQFIO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H25-N-O3-S2

Molecular Weight

  • 295.466
 
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Names and Synonyms

Synonyms

  • 2-((4-Cyclohexylbutyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2978395
  • NSC 348969
  • S-2-((4-Cyclohexylbutyl)amino)ethyl thiosulfate

Systematic Names

  • Ethanethiol, 2-(4-cyclohexylbutyl)amino-, hydrogen sulfate (ester)
  • Thiosulfuric acid (H2S2O3), S-(2-((4-cyclohexylbutyl)amino)ethyl) ester (9CI)

Registry Numbers

CAS Registry Number

  • 19142-99-5

System Generated Number

  • 0019142995

Structure Descriptors

InChI

1S/C12H25NO3S2/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,14,15,16)

InChIKey

ZXQNHZRSLAQFIO-UHFFFAOYSA-N

Smiles

S(=O)(=O)(SCCNCCCCC1CCCCC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.