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Substance Name: Ammonium, (ethylenebis(carbonyloxyethylene))bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dibromide
RN: 66967-66-6
InChIKey: RKMIHIRTJISVFH-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H74-N2-O4.2Br

Molecular Weight

  • 782.821
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 66967-66-6

System Generated Number

  • 0066967666

Molecular Formulas

Molecular Formula

  • C38-H74-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C38-H74-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C38H74N2O4.2BrH/c1-29-15-13-23-37(5,6)33(29)19-17-31(3)39(9,10)25-27-43-35(41)21-22-36(42)44-28-26-40(11,12)32(4)18-20-34-30(2)16-14-24-38(34,7)8;;/h29-34H,13-28H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

RKMIHIRTJISVFH-UHFFFAOYSA-L

Smiles

C1([C@@H]([C@@H](CCC1)C)CC[C@@H]([N+](CCOC(CCC(OCC[N+]([C@@H](CC[C@@H]1C(CCC[C@@H]1C)(C)C)C)(C)C)=O)=O)(C)C)C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 432mg/kg (432mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.