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Substance Name: Ethanethiol, 2-(5-(4-methyl-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-10-9
InChIKey: JLHPIYCYMLXDIC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-N2-O4-S2

Molecular Weight

  • 334.4588
 
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Names and Synonyms

Synonyms

  • 4-Picoline, 2-(5-ethylaminopentyloxy)-, hydrogen thiosulfate
  • BRN 1654915
  • Ethanethiosulfuric acid, 2-(5-(4-methyl-2-pyridyloxy)pentyl)amino-
  • S-2-((5-(4-Methyl-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((5-(4-methyl-2-pyridyloxy)pentyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(5-(4-methyl-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-10-9

System Generated Number

  • 0041287109

Structure Descriptors

InChI

1S/C13H22N2O4S2/c1-12-5-7-15-13(11-12)19-9-4-2-3-6-14-8-10-20-21(16,17)18/h5,7,11,14H,2-4,6,8-10H2,1H3,(H,16,17,18)

InChIKey

JLHPIYCYMLXDIC-UHFFFAOYSA-N

Smiles

Cc1ccnc(c1)OCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 185mg/kg (185mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.