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Substance Name: Ethanethiol, 2-(5-(4-(trifluoromethyl)-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-34-7
InChIKey: RWWBYAZXVYCRQA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-F3-N2-O4-S2

Molecular Weight

  • 438.4889
 
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Names and Synonyms

Synonyms

  • BRN 1668425
  • Ethanethiosulfuric acid, 2-(5-(4-(trifluoromethyl)-2-quinolyloxy)pentyl)amino-
  • S-2-((5-(4-Trifluoromethyl-2-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((5-(4-trifluoromethyl-2-quinolyloxy)pentyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(5-(4-(trifluoromethyl)-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-34-7

System Generated Number

  • 0041287347

Structure Descriptors

InChI

1S/C17H21F3N2O4S2/c18-17(19,20)14-12-16(22-15-7-3-2-6-13(14)15)26-10-5-1-4-8-21-9-11-27-28(23,24)25/h2-3,6-7,12,21H,1,4-5,8-11H2,(H,23,24,25)

InChIKey

RWWBYAZXVYCRQA-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(cc(n2)OCCCCCNCCSS(=O)(=O)O)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.