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Substance Name: Ammonium, hexamethylenebis(1,5,9-trimethyldecyl)bis(dimethyl-, dibromide
RN: 22012-49-3
InChIKey: DUOCMIITTMGJNB-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H78-N2.2Br

Molecular Weight

  • 698.834
 
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Names and Synonyms

Synonym

  • Hexamethylenebis(1,5,9-trimethyldecyl)bis(dimethylammonium bromide)

Systematic Name

  • Ammonium, hexamethylenebis(1,5,9-trimethyldecyl)bis(dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 22012-49-3

System Generated Number

  • 0022012493

Molecular Formulas

Molecular Formula

  • C36-H78-N2.2Br

Molecular Formula Fragments

  • Br
  • C36-H78-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C36H78N2.2BrH/c1-31(2)21-17-23-33(5)25-19-27-35(7)37(9,10)29-15-13-14-16-30-38(11,12)36(8)28-20-26-34(6)24-18-22-32(3)4;;/h31-36H,13-30H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

DUOCMIITTMGJNB-UHFFFAOYSA-L

Smiles

[N+]([C@@H](CCC[C@@H](CCCC(C)C)C)C)(CCCCCC[N+]([C@@H](CCC[C@@H](CCCC(C)C)C)C)(C)C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.