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Substance Name: Thiosulfuric acid, S-(2-((5-((5-bromo-2-pyridinyl)oxy)pentyl)amino)-1-methylethyl) ester
RN: 41287-19-8
InChIKey: ODNCCDXCUQRCLN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-Br-N2-O4-S2

Molecular Weight

  • 413.3549
 
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Names and Synonyms

Synonym

  • S-(2-((5-((5-Bromo-2-pyridinyl)oxy)pentyl)amino)-1-methylethyl) thiosulfate

Systematic Name

  • Thiosulfuric acid, S-(2-((5-((5-bromo-2-pyridinyl)oxy)pentyl)amino)-1-methylethyl) ester

Registry Numbers

CAS Registry Number

  • 41287-19-8

System Generated Number

  • 0041287198

Structure Descriptors

InChI

1S/C13H21BrN2O4S2/c1-11(21-22(17,18)19)9-15-7-3-2-4-8-20-13-6-5-12(14)10-16-13/h5-6,10-11,15H,2-4,7-9H2,1H3,(H,17,18,19)

InChIKey

ODNCCDXCUQRCLN-UHFFFAOYSA-N

Smiles

CC(CNCCCCCOc1ccc(cn1)Br)SS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 319, 1973.