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Substance Name: Ethanethiol, 2-(3-(4,6-dimethyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
RN: 41287-31-4
InChIKey: BSUIFZACDFHAMH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N2-O4-S2

Molecular Weight

  • 370.4918
 
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Names and Synonyms

Synonyms

  • BRN 1659530
  • Ethanethiosulfuric acid, 2-(3-(4,6-dimethyl-2-quinolyloxy)propyl)amino-
  • S-2-((3-(4,6-Dimethyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((3-(4,6-dimethyl-2-quinolyloxy)propyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(3-(4,6-dimethyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-31-4

System Generated Number

  • 0041287314

Structure Descriptors

InChI

1S/C16H22N2O4S2/c1-12-4-5-15-14(10-12)13(2)11-16(18-15)22-8-3-6-17-7-9-23-24(19,20)21/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,19,20,21)

InChIKey

BSUIFZACDFHAMH-UHFFFAOYSA-N

Smiles

Cc1ccc2c(c1)c(cc(n2)OCCCNCCSS(=O)(=O)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.
mouse LD50 oral > 900mg/kg (900mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.