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Substance Name: Ammonium, ethylenebis(iminocarbonylmethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride
RN: 67011-28-3
InChIKey: IIPAQNHNCJWMTQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H72-N4-O2.2Cl

Molecular Weight

  • 663.897
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 67011-28-3

System Generated Number

  • 0067011283

Molecular Formulas

Molecular Formula

  • C36-H72-N4-O2.2Cl

Molecular Formula Fragments

  • C36-H72-N4-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C36H70N4O2.2ClH/c1-27-15-13-21-35(5,6)31(27)19-17-29(3)39(9,10)25-33(41)37-23-24-38-34(42)26-40(11,12)30(4)18-20-32-28(2)16-14-22-36(32,7)8;;/h27-32H,13-26H2,1-12H3;2*1H

InChIKey

IIPAQNHNCJWMTQ-UHFFFAOYSA-N

Smiles

C1([C@@H]([C@@H](CCC1)C)CC[C@@H]([N+](CC(NCCNC(C[N+]([C@@H](CC[C@@H]1C(CCC[C@@H]1C)(C)C)C)(C)C)=O)=O)(C)C)C)(C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 375mg/kg (375mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.