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Substance Name: Ammonium, hexamethylenebis((3-((2-isopropyl-5-methyl)cyclopentyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrate
RN: 67011-27-2
InChIKey: ZYTBCKRLFSMZAD-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H74-N2.2Br.1/2H2-O

Molecular Weight

  • 694.803
 
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Names and Synonyms

  • Ammonium, hexamethylenebis((3-((2-isopropyl-5-methyl)cyclopentyl)-1-methyl)propyl)bis(dimethyl-, dibromide, hemihydrate

Registry Numbers

CAS Registry Number

  • 67011-27-2

System Generated Number

  • 0067011272

Molecular Formulas

Molecular Formula

  • C36-H74-N2.2Br.1/2H2-O

Molecular Formula Fragments

  • Br
  • C36-H74-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C36H74N2.2BrH/c1-27(2)33-21-17-29(5)35(33)23-19-31(7)37(9,10)25-15-13-14-16-26-38(11,12)32(8)20-24-36-30(6)18-22-34(36)28(3)4;;/h27-36H,13-26H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

ZYTBCKRLFSMZAD-UHFFFAOYSA-L

Smiles

C([C@@H]1[C@@H](CC[C@@H]1C)C(C)C)C[C@@H]([N+](CCCCCC[N+]([C@@H](CC[C@@H]1[C@@H](CC[C@@H]1C)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 132mg/kg (132mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.