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Substance Name: Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis((2-hydroxyethyl)methyl-, dibromide
RN: 67011-25-0
InChIKey: LRRVJQMTTTZNSI-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H78-N2-O2.2Br

Molecular Weight

  • 754.854
 
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Names and Synonyms

  • Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis((2-hydroxyethyl)methyl-, dibromide

Registry Numbers

CAS Registry Number

  • 67011-25-0

System Generated Number

  • 0067011250

Molecular Formulas

Molecular Formula

  • C38-H78-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C38-H78-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C38H78N2O2.2BrH/c1-31-17-15-23-37(5,6)35(31)21-19-33(3)39(9,27-29-41)25-13-11-12-14-26-40(10,28-30-42)34(4)20-22-36-32(2)18-16-24-38(36,7)8;;/h31-36,41-42H,11-30H2,1-10H3;2*1H/q+2;;/p-2

InChIKey

LRRVJQMTTTZNSI-UHFFFAOYSA-L

Smiles

C([N@@+]([C@@H](CC[C@@H]1C(CCC[C@@H]1C)(C)C)C)(CCO)C)CCCCC[N@@+]([C@@H](CC[C@@H]1C(CCC[C@@H]1C)(C)C)C)(CCO)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 330mg/kg (330mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.