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Substance Name: Ethanethiol, 2-(5-(8-chloro-4-methyl-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-36-9
InChIKey: CKQISVVSBPQHHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-Cl-N2-O4-S2

Molecular Weight

  • 418.9637
 
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Names and Synonyms

Synonyms

  • BRN 1664275
  • Ethanethiosulfuric acid, 2-(5-(8-chloro-4-methyl-2-quinolyloxy)pentyl)amino-
  • S-2-((5-(8-Chloro-4-methyl-2-quinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((5-(8-chloro-4-methyl-2-quinolyloxy)pentyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(5-(8-chloro-4-methyl-2-quinolyloxy)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-36-9

System Generated Number

  • 0041287369

Structure Descriptors

InChI

1S/C17H23ClN2O4S2/c1-13-12-16(20-17-14(13)6-5-7-15(17)18)24-10-4-2-3-8-19-9-11-25-26(21,22)23/h5-7,12,19H,2-4,8-11H2,1H3,(H,21,22,23)

InChIKey

CKQISVVSBPQHHP-UHFFFAOYSA-N

Smiles

Cc1cc(nc2c1cccc2Cl)OCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 325mg/kg (325mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.