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Substance Name: Ethanethiol, 2-(6-(4-methyl-2-quinolyloxy)hexyl)amino-, hydrogen sulfate (ester)
RN: 41287-40-5
InChIKey: XXUJCIFAKQDYHT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N2-O4-S2

Molecular Weight

  • 398.5454
 
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Names and Synonyms

Synonyms

  • BRN 1662154
  • Ethanethiosulfuric acid, 2-(6-(4-methyl-2-quinolyloxy)hexyl)amino-
  • S-2-((6-(4-Methyl-2-quinolyloxy)hexyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((6-(4-methyl-2-quinolyloxy)hexyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(6-(4-methyl-2-quinolyloxy)hexyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-40-5

System Generated Number

  • 0041287405

Structure Descriptors

InChI

1S/C18H26N2O4S2/c1-15-14-18(20-17-9-5-4-8-16(15)17)24-12-7-3-2-6-10-19-11-13-25-26(21,22)23/h4-5,8-9,14,19H,2-3,6-7,10-13H2,1H3,(H,21,22,23)

InChIKey

XXUJCIFAKQDYHT-UHFFFAOYSA-N

Smiles

Cc1cc(nc2c1cccc2)OCCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.