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Substance Name: Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-45-0
InChIKey: HCCCKSXKQMGUDF-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 1660166
  • Ethanethiosulfuric acid, 2-(5-(1-isoquinolyloxy)pentyl)amino-
  • S-2-((5-(1-Isoquinolyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-(5-(1-isoquinolyloxy)pentyl)amino)ethyl ester

Systematic Name

  • Ethanethiol, 2-(5-(1-isoquinolyloxy)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-45-0

System Generated Number

  • 0041287450

Structure Descriptors

InChI

1S/C16H22N2O4S2/c19-24(20,21)23-13-11-17-9-4-1-5-12-22-16-15-7-3-2-6-14(15)8-10-18-16/h2-3,6-8,10,17H,1,4-5,9,11-13H2,(H,19,20,21)

InChIKey

HCCCKSXKQMGUDF-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)ccnc2OCCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.