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Substance Name: Ethanethiol, 2-(3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino-, hydrogen sulfate (ester)
RN: 41287-33-6
InChIKey: ODFFJVKYNZZQHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N2-O5-S2

Molecular Weight

  • 386.4908
 
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Names and Synonyms

Synonyms

  • BRN 1505161
  • Ethanethiosulfuric acid, 2-(3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino-
  • S-2-((3-(6-Methoxy-4-methyl-2-quinolyloxy)propyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((3-(6-methoxy-4-methyl-2-quinolyloxy)propyl)amino)ethyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 41287-33-6

System Generated Number

  • 0041287336

Structure Descriptors

InChI

1S/C16H22N2O5S2/c1-12-10-16(18-15-5-4-13(22-2)11-14(12)15)23-8-3-6-17-7-9-24-25(19,20)21/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,19,20,21)

InChIKey

ODFFJVKYNZZQHO-UHFFFAOYSA-N

Smiles

Cc1cc(nc2c1cc(cc2)OC)OCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.