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Substance Name: Ammonium, undecamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide, hemihydrate
RN: 66827-73-4
InChIKey: IWMNVHQHGBNOSJ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H84-N2.2Br.1/2H2-O

Molecular Weight

  • 764.937
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66827-73-4

System Generated Number

  • 0066827734

Molecular Formulas

Molecular Formula

  • C41-H84-N2.2Br.1/2H2-O

Molecular Formula Fragments

  • Br
  • C41-H84-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C41H84N2.2BrH/c1-34-24-22-30-40(5,6)38(34)28-26-36(3)42(9,10)32-20-18-16-14-13-15-17-19-21-33-43(11,12)37(4)27-29-39-35(2)25-23-31-41(39,7)8;;/h34-39H,13-33H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

IWMNVHQHGBNOSJ-UHFFFAOYSA-L

Smiles

C1([C@@H]([C@@H](CCC1)C)CC[C@@H]([N+](CCCCCCCCCCC[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 298mg/kg (298mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.