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Substance Name: Ethanethiol, 2-((4-(cyclohexyloxy)butyl)amino)-, hydrogen sulfate (ester)
RN: 21209-24-5
InChIKey: FJHHAJOCIUIFJP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H25-N-O4-S2

Molecular Weight

  • 311.465
 
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Names and Synonyms

Synonyms

  • 2-(((4-Cyclohexyloxy)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 1986880
  • S-2-(((4-Cyclohexyloxy)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21209-24-5

System Generated Number

  • 0021209245

Structure Descriptors

InChI

1S/C12H25NO4S2/c14-19(15,16)18-11-9-13-8-4-5-10-17-12-6-2-1-3-7-12/h12-13H,1-11H2,(H,14,15,16)

InChIKey

FJHHAJOCIUIFJP-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCOC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.