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Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-hexamethylenebis(3-benzyl-9-methyl-, diiodide
RN: 17747-53-4
InChIKey: GMZIRHOBDNYARW-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H56-N4.2I

Molecular Weight

  • 798.666
 
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Names and Synonyms

Synonym

  • 9,9'-Hexamethylenebis(3-benzyl-9-methyl-3-aza-9-azoniabicyclo(3.3.1)nonane iodide)

Systematic Name

  • 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-hexamethylenebis(3-benzyl-9-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 17747-53-4

System Generated Number

  • 0017747534

Molecular Formulas

Molecular Formula

  • C36-H56-N4.2I

Molecular Formula Fragments

  • C36-H56-N4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C36H56N4.2HI/c1-39(33-19-13-20-34(39)28-37(27-33)25-31-15-7-5-8-16-31)23-11-3-4-12-24-40(2)35-21-14-22-36(40)30-38(29-35)26-32-17-9-6-10-18-32;;/h5-10,15-18,33-36H,3-4,11-14,19-30H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

GMZIRHOBDNYARW-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)(CCCCCC[N+]1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)C)C.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 1200ug/kg (1.2mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Pharmaceutical Chemistry Journal Vol. 2, Pg. 182, 1968.