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Substance Name: Ethanethiol, 2-(5-(4-chloro-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-29-0
InChIKey: HGBYUSPXUFKKJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-Cl-N2-O4-S2

Molecular Weight

  • 404.9369
 
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Names and Synonyms

Synonyms

  • BRN 1662777
  • Ethanethiosulfuric acid, 2-(5-(4-chloro-2-quinolyloxy)pentyl)amino-
  • S-2-((5-(4-Chloro-2-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-(5-(4-chloro-2-quinolyloxy)pentyl)amino)ethyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 41287-29-0

System Generated Number

  • 0041287290

Structure Descriptors

InChI

1S/C16H21ClN2O4S2/c17-14-12-16(19-15-7-3-2-6-13(14)15)23-10-5-1-4-8-18-9-11-24-25(20,21)22/h2-3,6-7,12,18H,1,4-5,8-11H2,(H,20,21,22)

InChIKey

HGBYUSPXUFKKJJ-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)c(cc(n2)OCCCCCNCCSS(=O)(=O)O)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 275mg/kg (275mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.