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Substance Name: Ethanethiol, 2-(3-cyclohexylpropyl)amino-, hydrogen sulfate (ester)
RN: 21208-95-7
InChIKey: NIFFJRXDUVHOFH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H23-N-O3-S2

Molecular Weight

  • 281.439
 
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Names and Synonyms

Synonyms

  • 2-((3-Cyclohexylpropyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2976956
  • S-2-((3-Cyclohexylpropyl)amino)ethyl thiosulfate
  • Thiosulfuric acid, S-(2-((3-cyclohexylpropyl)amino)ethyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21208-95-7

System Generated Number

  • 0021208957

Structure Descriptors

InChI

1S/C11H23NO3S2/c13-17(14,15)16-10-9-12-8-4-7-11-5-2-1-3-6-11/h11-12H,1-10H2,(H,13,14,15)

InChIKey

NIFFJRXDUVHOFH-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCC1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.