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Substance Name: Piperidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-benzyl-, dichloride
RN: 105730-57-2
InChIKey: DTUPRDSMMNGURO-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H50-N2-O4.2Cl

Molecular Weight

  • 645.707
 
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Names and Synonyms

Synonym

  • 1,1'-(m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-benzylpiperidinium chloride)

Systematic Name

  • Piperidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1-benzyl-, dichloride

Registry Numbers

CAS Registry Number

  • 105730-57-2

System Generated Number

  • 0105730572

Molecular Formulas

Molecular Formula

  • C36-H50-N2-O4.2Cl

Molecular Formula Fragments

  • C36-H50-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C36H50N2O4.2ClH/c39-33(27-37(20-9-3-10-21-37)25-31-14-5-1-6-15-31)29-41-35-18-13-19-36(24-35)42-30-34(40)28-38(22-11-4-12-23-38)26-32-16-7-2-8-17-32;;/h1-2,5-8,13-19,24,33-34,39-40H,3-4,9-12,20-23,25-30H2;2*1H/q+2;;/p-2

InChIKey

DTUPRDSMMNGURO-UHFFFAOYSA-L

Smiles

c1ccc(cc1)C[N+]2(CCCCC2)CC(COc3cccc(c3)OCC(C[N+]4(CCCCC4)Cc5ccccc5)O)O.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12200ug/kg (12.2mg/kg)   Farmakologiya i Toksikologiya Vol. 24, Pg. 695, 1961.