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Substance Name: Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(benzyldiethyl-, dichloride
RN: 106405-64-5
InChIKey: FTWLWRCDMARBIR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H50-N2-O4.2Cl

Molecular Weight

  • 621.685
 
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Names and Synonyms

Synonym

  • (m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(benzyldiethylammonium chloride)

Systematic Name

  • Ammonium, (m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(benzyldiethyl-, dichloride

Registry Numbers

CAS Registry Number

  • 106405-64-5

System Generated Number

  • 0106405645

Molecular Formulas

Molecular Formula

  • C34-H50-N2-O4.2Cl

Molecular Formula Fragments

  • C34-H50-N2-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C34H50N2O4.2ClH/c1-5-35(6-2,23-29-16-11-9-12-17-29)25-31(37)27-39-33-20-15-21-34(22-33)40-28-32(38)26-36(7-3,8-4)24-30-18-13-10-14-19-30;;/h9-22,31-32,37-38H,5-8,23-28H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

FTWLWRCDMARBIR-UHFFFAOYSA-L

Smiles

[N+](Cc1ccccc1)(C[C@@H](COc1cc(OC[C@@H](C[N+](Cc2ccccc2)(CC)CC)O)ccc1)O)(CC)CC.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8600ug/kg (8.6mg/kg)   Farmakologiya i Toksikologiya Vol. 24, Pg. 695, 1961.