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Substance Name: Ethanethiol, 2-(4-(5-bromo-2-pyridyloxy)butyl)amino-, hydrogen sulfate (ester)
RN: 41286-99-1
InChIKey: NMTMZLCCIHLJED-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H17-Br-N2-O4-S2

Molecular Weight

  • 385.3013
 
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Names and Synonyms

Synonyms

  • BRN 1487395
  • Ethanethiosulfuric acid, 2-(4-(5-bromo-2-pyridyloxy)butyl)amino-
  • S-2-((4-(5-Bromo-2-pyridyloxy)butyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((4-(5-bromo-2-pyridyloxy)butyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(4-(5-bromo-2-pyridyloxy)butyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41286-99-1

System Generated Number

  • 0041286991

Structure Descriptors

InChI

1S/C11H17BrN2O4S2/c12-10-3-4-11(14-9-10)18-7-2-1-5-13-6-8-19-20(15,16)17/h3-4,9,13H,1-2,5-8H2,(H,15,16,17)

InChIKey

NMTMZLCCIHLJED-UHFFFAOYSA-N

Smiles

c1cc(ncc1Br)OCCCCNCCSS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/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.