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Substance Name: Ammonium, ethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide, hydrate
RN: 72017-49-3
InChIKey: LESLHSIXTZSIMM-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H66-N2.2Br.H2-O

Molecular Weight

  • 638.695
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72017-49-3

System Generated Number

  • 0072017493

Molecular Formulas

Molecular Formula

  • C32-H66-N2.2Br.H2-O

Molecular Formula Fragments

  • Br
  • C32-H66-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C32H66N2.2BrH/c1-25-15-13-21-31(5,6)29(25)19-17-27(3)33(9,10)23-24-34(11,12)28(4)18-20-30-26(2)16-14-22-32(30,7)8;;/h25-30H,13-24H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

LESLHSIXTZSIMM-UHFFFAOYSA-L

Smiles

C1([C@@H]([C@@H](CCC1)C)CC[C@@H]([N+](CC[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 intraperitoneal 38mg/kg (38mg/kg)   Antibiotics Annual. Vol. 7, Pg. 785, 1959/1960.
mouse LD50 subcutaneous 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.