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Substance Name: Ammonium, (p-phenylenedimethylene)bis(ethyl(2-hydroxyethyl)propyl-, dibromide
RN: 101710-64-9
InChIKey: SOSXBTLYISSITM-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H42-N2-O2.2Br

Molecular Weight

  • 526.394
 
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Names and Synonyms

Synonym

  • (p-Phenylenedimethylene)bis(ethyl(2-hydroxyethyl)propylammonium bromide)

Systematic Name

  • Ammonium, (p-phenylenedimethylene)bis(ethyl(2-hydroxyethyl)propyl-, dibromide

Registry Numbers

CAS Registry Number

  • 101710-64-9

System Generated Number

  • 0101710649

Molecular Formulas

Molecular Formula

  • C22-H42-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C22-H42-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H42N2O2.2BrH/c1-5-13-23(7-3,15-17-25)19-21-9-11-22(12-10-21)20-24(8-4,14-6-2)16-18-26;;/h9-12,25-26H,5-8,13-20H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

SOSXBTLYISSITM-UHFFFAOYSA-L

Smiles

C([N@@+](CCC)(CCO)CC)c1ccc(C[N@@+](CCC)(CCO)CC)cc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 12500ug/kg (12.5mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Archives Internationales de Pharmacodynamie et de Therapie. Vol. 114, Pg. 217, 1958.