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Substance Name: Disulfide, bis(2-((4-(2,3,6-trimethylphenoxy)butyl)amino)ethyl)-, dihydrochloride
RN: 38920-81-9
InChIKey: PDWAYYLBRZQQMN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H48-N2-O2-S2.2Cl-H

Molecular Weight

  • 605.775
 
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Names and Synonyms

Synonyms

  • Bis-2-((4-(2,3,6-trimethylphenoxy)butyl)amino)ethyldisulfide, dihydrochloride
  • Butylamine, N,N'-dithiodiethylenebis(4-(2,3,6-trimethylphenoxy)-, dihydrochloride
  • N,N'-Dithiodiethylenebis(4-(2,3,6-trimethylphenoxy)butylamine) dihydrochloride

Systematic Name

  • Disulfide, bis(2-((4-(2,3,6-trimethylphenoxy)butyl)amino)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 38920-81-9

System Generated Number

  • 0038920819

Molecular Formulas

Molecular Formula

  • C30-H48-N2-O2-S2.2Cl-H

Molecular Formula Fragments

  • C30-H48-N2-O2-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H48N2O2S2.2ClH/c1-23-11-13-25(3)29(27(23)5)33-19-9-7-15-31-17-21-35-36-22-18-32-16-8-10-20-34-30-26(4)14-12-24(2)28(30)6;;/h11-14,31-32H,7-10,15-22H2,1-6H3;2*1H

InChIKey

PDWAYYLBRZQQMN-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C)C)C)OCCCC[NH2+]CCSSCC[NH2+]CCCCOc1c(c(ccc1C)C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 45mg/kg (45mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 968, 1972.