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Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-pentamethylenebis(3-benzyl-9-methyl-, diiodide
RN: 17713-11-0
InChIKey: VPSANDKMOVFBJT-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H54-N4.2I

Molecular Weight

  • 784.64
 
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Names and Synonyms

Synonym

  • 9,9'-Pentamethylenebis(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'-pentamethylenebis(3-benzyl-9-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 17713-11-0

System Generated Number

  • 0017713110

Molecular Formulas

Molecular Formula

  • C35-H54-N4.2I

Molecular Formula Fragments

  • C35-H54-N4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C35H54N4.2HI/c1-38(32-18-12-19-33(38)27-36(26-32)24-30-14-6-3-7-15-30)22-10-5-11-23-39(2)34-20-13-21-35(39)29-37(28-34)25-31-16-8-4-9-17-31;;/h3-4,6-9,14-17,32-35H,5,10-13,18-29H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

VPSANDKMOVFBJT-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)(CCCCC[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 2100ug/kg (2.1mg/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.