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Substance Name: Ethanethiol, 2-(5-(3,5-dibromo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)
RN: 41287-01-8
InChIKey: YSKCXFJVTRCGGD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-Br2-N2-O4-S2

Molecular Weight

  • 478.2242
 
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Names and Synonyms

Synonyms

  • BRN 1499809
  • Ethanethiosulfuric acid, 2-(5-(3,5-dibromo-2-pyridyloxy)pentyl)amino-
  • S-2-((5-(3,5-Dibromo-2-pyridyloxy)pentyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((5-(3,5-dibromo-2-pyridyloxy)pentyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(5-(3,5-dibromo-2-pyridyloxy)pentyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41287-01-8

System Generated Number

  • 0041287018

Structure Descriptors

InChI

1S/C12H18Br2N2O4S2/c13-10-8-11(14)12(16-9-10)20-6-3-1-2-4-15-5-7-21-22(17,18)19/h8-9,15H,1-7H2,(H,17,18,19)

InChIKey

YSKCXFJVTRCGGD-UHFFFAOYSA-N

Smiles

c1c(cnc(c1Br)OCCCCCNCCSS(=O)(=O)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 163mg/kg (163mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.
mouse LD50 oral > 1200mg/kg (1200mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.