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Substance Name: Ethanethiol, 2-(3-(4-(trifluoromethyl)-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
RN: 41287-23-4
InChIKey: WHHJVZWAZFDIMO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-F3-N2-O4-S2

Molecular Weight

  • 410.4353
 
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Names and Synonyms

Synonyms

  • BRN 1692918
  • Ethanethiosulfuric acid, 2-(3-(4-(trifluoromethyl)-2-quinolyloxy)propyl)amino-
  • S-2-((3-(4-Trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((3-(4-trifluoromethyl-2-quinolyloxy)propyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(3-(4-(trifluoromethyl)-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-23-4

System Generated Number

  • 0041287234

Structure Descriptors

InChI

1S/C15H17F3N2O4S2/c16-15(17,18)12-10-14(20-13-5-2-1-4-11(12)13)24-8-3-6-19-7-9-25-26(21,22)23/h1-2,4-5,10,19H,3,6-9H2,(H,21,22,23)

InChIKey

WHHJVZWAZFDIMO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.