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Substance Name: Ethanethiol, 2-((4-(4-cyclohexylcyclohexyl)butyl)amino)-, hydrogen sulfate (ester)
RN: 21209-21-2
InChIKey: QZNYWWZOQIXNMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H35-N-O3-S2

Molecular Weight

  • 377.611
 
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Names and Synonyms

Synonyms

  • 2-((4-((4-Cyclohexyl)cyclohexyl)butyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 2995409
  • S-2-((4-((4-Cyclohexyl)cyclohexyl)butyl)amino)ethyl thiosulfate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21209-21-2

System Generated Number

  • 0021209212

Structure Descriptors

InChI

1S/C18H35NO3S2/c20-24(21,22)23-15-14-19-13-5-4-6-16-9-11-18(12-10-16)17-7-2-1-3-8-17/h16-19H,1-15H2,(H,20,21,22)

InChIKey

QZNYWWZOQIXNMX-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCC1CCC(CC1)C1CCCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1190, 1968.