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Substance Name: Disulfide, bis(2-((4-(2,6-xylyloxy)butyl)amino)ethyl)-, dihydrochloride
RN: 38920-79-5
InChIKey: OYUBFPRNUWMVHK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H44-N2-O2-S2.2Cl-H

Molecular Weight

  • 577.721
 
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Names and Synonyms

Synonyms

  • Bis-2-((4-(2,6-xylyloxy)butyl)amino)ethyldisulfide dihydrochloride
  • Butylamine, N,N'-dithiodiethylenebis(4-(2,6-xylyloxy)-, dihydrochloride
  • N,N'-Dithiodiethylenebis(4-(2,6-xylyloxy)butylamine) dihydrochloride

Systematic Name

  • Disulfide, bis(2-((4-(2,6-xylyloxy)butyl)amino)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 38920-79-5

System Generated Number

  • 0038920795

Molecular Formulas

Molecular Formula

  • C28-H44-N2-O2-S2.2Cl-H

Molecular Formula Fragments

  • C28-H44-N2-O2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H44N2O2S2.2ClH/c1-23-11-9-12-24(2)27(23)31-19-7-5-15-29-17-21-33-34-22-18-30-16-6-8-20-32-28-25(3)13-10-14-26(28)4;;/h9-14,29-30H,5-8,15-22H2,1-4H3;2*1H

InChIKey

OYUBFPRNUWMVHK-UHFFFAOYSA-N

Smiles

c1(c(cccc1C)C)OCCCC[NH2+]CCSSCC[NH2+]CCCCOc1c(cccc1C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 560mg/kg (560mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.