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Substance Name: Ammonium, octamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide
RN: 66968-03-4
InChIKey: OAJHOZAEYAJYBU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H78-N2.2Br

Molecular Weight

  • 722.856
 
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Names and Synonyms

Synonym

  • Octamethylenebis(dimethyl(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)ammonium bromide)

Systematic Name

  • Ammonium, octamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 66968-03-4

System Generated Number

  • 0066968034

Molecular Formulas

Molecular Formula

  • C38-H78-N2.2Br

Molecular Formula Fragments

  • Br
  • C38-H78-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C38H78N2.2BrH/c1-31-21-19-27-37(5,6)35(31)25-23-33(3)39(9,10)29-17-15-13-14-16-18-30-40(11,12)34(4)24-26-36-32(2)22-20-28-38(36,7)8;;/h31-36H,13-30H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

OAJHOZAEYAJYBU-UHFFFAOYSA-L

Smiles

C1([C@@H](CC[C@@H]([N+](CCCCCCCC[N+]([C@@H](CC[C@@H]2C(CCC[C@@H]2C)(C)C)C)(C)C)(C)C)C)[C@@H](CCC1)C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 758mg/kg (758mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.