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Substance Name: Ethanethiol, 2-(3-(3-nitro-2-pyridyloxy)propyl)amino-, hydrogen sulfate (ester)
RN: 41286-97-9
InChIKey: BYCNQOVVSOKZEP-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 1499381
  • Ethanethiosulfuric acid, 2-(3-(3-nitro-2-pyridyloxy)propyl)amino-
  • S-2-((3-(3-Nitro-2-pyridyloxy)propyl)amino)ethyl hydrogen thiosulfate
  • Thiosulfuric acid, S-(2-((3-(3-nitro-2-pyridyloxy)propyl)amino)ethyl) ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 41286-97-9

System Generated Number

  • 0041286979

Structure Descriptors

InChI

1S/C10H15N3O6S2/c14-13(15)9-3-1-5-12-10(9)19-7-2-4-11-6-8-20-21(16,17)18/h1,3,5,11H,2,4,6-8H2,(H,16,17,18)

InChIKey

BYCNQOVVSOKZEP-UHFFFAOYSA-N

Smiles

c1cc(c(nc1)OCCCNCCSS(=O)(=O)O)[N+](=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.