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Substance Name: Ammonium, (p-phenylene)dimethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide
RN: 66827-15-4
InChIKey: MDJKEFNACOFQHB-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H70-N2.2Br

Molecular Weight

  • 714.793
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 66827-15-4

System Generated Number

  • 0066827154

Molecular Formulas

Molecular Formula

  • C38-H70-N2.2Br

Molecular Formula Fragments

  • Br
  • C38-H70-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C38H70N2.2BrH/c1-29-15-13-25-37(5,6)35(29)23-17-31(3)39(9,10)27-33-19-21-34(22-20-33)28-40(11,12)32(4)18-24-36-30(2)16-14-26-38(36,7)8;;/h19-22,29-32,35-36H,13-18,23-28H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

MDJKEFNACOFQHB-UHFFFAOYSA-L

Smiles

C([C@@H]1C(CCC[C@@H]1C)(C)C)C[C@@H]([N+](Cc1ccc(C[N+]([C@@H](CC[C@@H]2C(CCC[C@@H]2C)(C)C)C)(C)C)cc1)(C)C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 153mg/kg (153mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.