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Substance Name: Ammonium, decamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide
RN: 66902-85-0
InChIKey: BTSTUNGWGPQHCD-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H82-N2.2Br

Molecular Weight

  • 750.91
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66902-85-0

System Generated Number

  • 0066902850

Molecular Formulas

Molecular Formula

  • C40-H82-N2.2Br

Molecular Formula Fragments

  • Br
  • C40-H82-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C40H82N2.2BrH/c1-33-23-21-29-39(5,6)37(33)27-25-35(3)41(9,10)31-19-17-15-13-14-16-18-20-32-42(11,12)36(4)26-28-38-34(2)24-22-30-40(38,7)8;;/h33-38H,13-32H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

BTSTUNGWGPQHCD-UHFFFAOYSA-L

Smiles

C1([C@@H]([C@@H](CCC1)C)CC[C@@H]([N+](CCCCCCCCCC[N+]([C@@H](CC[C@@H]1C(CCC[C@@H]1C)(C)C)C)(C)C)(C)C)C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 549mg/kg (549mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.