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Substance Name: Ethanethiol, 2-(3-(5-nitro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)
RN: 41286-98-0
InChIKey: SBQYWGXLAKUAKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H15-N3-O6-S2

Molecular Weight

  • 337.3755
 
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Names and Synonyms

Synonyms

  • BRN 1499301
  • Ethanethiosulfuric acid, 2-(3-(5-nitro-2-pyridyloxy)propyl)amino-
  • S-2-((3-(5-Nitro-2-pyridyloxy)propyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((3-(5-nitro-2-pyridyloxy)propyl)amino)ethyl) ester

Systematic Name

  • Ethanethiol, 2-(3-(5-nitro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)

Registry Numbers

CAS Registry Number

  • 41286-98-0

System Generated Number

  • 0041286980

Structure Descriptors

InChI

1S/C10H15N3O6S2/c14-13(15)9-2-3-10(12-8-9)19-6-1-4-11-5-7-20-21(16,17)18/h2-3,8,11H,1,4-7H2,(H,16,17,18)

InChIKey

SBQYWGXLAKUAKB-UHFFFAOYSA-N

Smiles

c1cc(ncc1[N+](=O)[O-])OCCCNCCSS(=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.