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Substance Name: Ammonium, hexamethylenebis(2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl)bis(dimethyl-, dibromide
RN: 66967-71-3
InChIKey: SWDMZDDFLLVNLO-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C48-H98-N2.2Br

Molecular Weight

  • 863.124
 
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Names and Synonyms

  • Ammonium, hexamethylenebis(2,6-dimethyl-8-(2,2,6-trimethylcyclohexyl)octyl)bis(dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 66967-71-3

System Generated Number

  • 0066967713

Molecular Formulas

Molecular Formula

  • C48-H98-N2.2Br

Molecular Formula Fragments

  • Br
  • C48-H98-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C48H98N2.2BrH/c1-39(29-31-45-43(5)27-21-33-47(45,7)8)23-19-25-41(3)37-49(11,12)35-17-15-16-18-36-50(13,14)38-42(4)26-20-24-40(2)30-32-46-44(6)28-22-34-48(46,9)10;;/h39-46H,15-38H2,1-14H3;2*1H/q+2;;/p-2

InChIKey

SWDMZDDFLLVNLO-UHFFFAOYSA-L

Smiles

C1([C@@H]([C@@H](CCC1)C)CC[C@@H](CCC[C@@H](C[N+](CCCCCC[N+](C[C@@H](CCC[C@@H](CC[C@@H]1C(CCC[C@@H]1C)(C)C)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 85mg/kg (85mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.