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Substance Name: Ammonium, pentamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide
RN: 66827-14-3
InChIKey: YJTPVDBFPNMAMJ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H72-N2.2Br

Molecular Weight

  • 680.776
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66827-14-3

System Generated Number

  • 0066827143

Molecular Formulas

Molecular Formula

  • C35-H72-N2.2Br

Molecular Formula Fragments

  • Br
  • C35-H72-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C35H72N2.2BrH/c1-28-18-16-24-34(5,6)32(28)22-20-30(3)36(9,10)26-14-13-15-27-37(11,12)31(4)21-23-33-29(2)19-17-25-35(33,7)8;;/h28-33H,13-27H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

YJTPVDBFPNMAMJ-UHFFFAOYSA-L

Smiles

C1([C@@H](CC[C@@H]([N+](CCCCC[N+]([C@@H](CC[C@@H]2C(CCC[C@@H]2C)(C)C)C)(C)C)(C)C)C)[C@@H](CCC1)C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 139mg/kg (139mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.
mouse LD50 subcutaneous 33mg/kg (33mg/kg)   Antibiotics Annual. Vol. 7, Pg. 785, 1959/1960.