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Substance Name: Ethanethiol, 2-(5-(1-methylcyclohexyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 21226-97-1
InChIKey: DLPLZFSHIILHCJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H29-N-O4-S2

Molecular Weight

  • 339.518
 
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Names and Synonyms

Synonyms

  • 2-((5-(1-Methylcyclohexyloxy)pentyl)amino)ethanethiol hydrogen sulfate (ester)
  • BRN 1992295
  • S-2-((5-(1-Methylcyclohexyloxy)pentyl)amino)ethyl thiosulfate

Systematic Name

  • Ethanethiol, 2-(5-(1-methylcyclohexyloxy)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 21226-97-1

System Generated Number

  • 0021226971

Structure Descriptors

InChI

1S/C14H29NO4S2/c1-14(8-4-2-5-9-14)19-12-7-3-6-10-15-11-13-20-21(16,17)18/h15H,2-13H2,1H3,(H,16,17,18)

InChIKey

DLPLZFSHIILHCJ-UHFFFAOYSA-N

Smiles

S(=O)(=O)(O)SCCNCCCCCOC1(CCCCC1)C

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.