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Substance Name: Ammonium, hexamethylenebis(2-methyl-4-(2,2,6-trimethylcyclohexyl)butyl)bis(dimethyl-, dibromide
RN: 66967-74-6
InChIKey: YQJMBNGEDWTMRY-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H78-N2.2Br

Molecular Weight

  • 722.856
 
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Names and Synonyms

  • Ammonium, hexamethylenebis(2-methyl-4-(2,2,6-trimethylcyclohexyl)butyl)bis(dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 66967-74-6

System Generated Number

  • 0066967746

Molecular Formulas

Molecular Formula

  • C38-H78-N2.2Br

Molecular Formula Fragments

  • Br
  • C38-H78-N2
  • COMPONENT

Structure Descriptors

InChI

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

InChIKey

YQJMBNGEDWTMRY-UHFFFAOYSA-L

Smiles

C1([C@@H]([C@@H](CCC1)C)CC[C@@H](C[N+](CCCCCC[N+](C[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 683mg/kg (683mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.