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Substance Name: Ammonium, tetramethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hemihydrate
RN: 66827-31-4
InChIKey: GDYDTEWCLGQMEZ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H66-N2.2Br.1/2H2-O

Molecular Weight

  • 662.717
 
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Names and Synonyms

  • Ammonium, tetramethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hemihydrate

Registry Numbers

CAS Registry Number

  • 66827-31-4

System Generated Number

  • 0066827314

Molecular Formulas

Molecular Formula

  • C34-H66-N2.2Br.1/2H2-O

Molecular Formula Fragments

  • Br
  • C34-H66-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C34H66N2.2BrH/c1-27-17-15-23-33(5,6)31(27)21-19-29(3)35(9,10)25-13-14-26-36(11,12)30(4)20-22-32-28(2)18-16-24-34(32,7)8;;/h29-30H,13-26H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

GDYDTEWCLGQMEZ-UHFFFAOYSA-L

Smiles

C=1(C(CCCC1C)(C)C)CC[C@@H]([N+](CCCC[N+]([C@@H](CCC=1C(CCCC1C)(C)C)C)(C)C)(C)C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.