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Substance Name: Ammonium, hexamethylenebis(iminocarbonylmethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride
RN: 66967-72-4
InChIKey: LVKYVGYWKVHOJX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H80-N4-O2.2Cl

Molecular Weight

  • 720.004
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 66967-72-4

System Generated Number

  • 0066967724

Molecular Formulas

Molecular Formula

  • C40-H80-N4-O2.2Cl

Molecular Formula Fragments

  • C40-H80-N4-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C40H78N4O2.2ClH/c1-31(25-35-33(3)19-17-21-39(35,5)6)27-43(9,10)29-37(45)41-23-15-13-14-16-24-42-38(46)30-44(11,12)28-32(2)26-36-34(4)20-18-22-40(36,7)8;;/h31-36H,13-30H2,1-12H3;2*1H

InChIKey

LVKYVGYWKVHOJX-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 159mg/kg (159mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.