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Substance Name: Ammonium, (p-phenylenedimethylene)bis(dodecyldiethyl-, dibromide
RN: 88458-77-9
InChIKey: QDDBOPFJEVSXCQ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H78-N2.2Br

Molecular Weight

  • 746.878
 
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Names and Synonyms

Synonym

  • (p-Phenylenedimethylene)bis(dodecyldiethylammonium bromide)

Systematic Name

  • Ammonium, (p-phenylenedimethylene)bis(dodecyldiethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 88458-77-9

System Generated Number

  • 0088458779

Molecular Formulas

Molecular Formula

  • C40-H78-N2.2Br

Molecular Formula Fragments

  • Br
  • C40-H78-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C40H78N2.2BrH/c1-7-13-15-17-19-21-23-25-27-29-35-41(9-3,10-4)37-39-31-33-40(34-32-39)38-42(11-5,12-6)36-30-28-26-24-22-20-18-16-14-8-2;;/h31-34H,7-30,35-38H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

QDDBOPFJEVSXCQ-UHFFFAOYSA-L

Smiles

[N+](Cc1ccc(C[N+](CCCCCCCCCCCC)(CC)CC)cc1)(CCCCCCCCCCCC)(CC)CC.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 65mg/kg (65mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES Archives Internationales de Pharmacodynamie et de Therapie. Vol. 114, Pg. 217, 1958.