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Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-heptamethylenebis(3-benzyl-9-methyl-, diiodide
RN: 17713-12-1
InChIKey: NZVJMXGKNOLTLA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H58-N4.2I

Molecular Weight

  • 812.693
 
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Names and Synonyms

Synonym

  • 9,9'-Heptamethylenebis(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'-heptamethylenebis(3-benzyl-9-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 17713-12-1

System Generated Number

  • 0017713121

Molecular Formulas

Molecular Formula

  • C37-H58-N4.2I

Molecular Formula Fragments

  • C37-H58-N4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C37H58N4.2HI/c1-40(34-20-14-21-35(40)29-38(28-34)26-32-16-8-6-9-17-32)24-12-4-3-5-13-25-41(2)36-22-15-23-37(41)31-39(30-36)27-33-18-10-7-11-19-33;;/h6-11,16-19,34-37H,3-5,12-15,20-31H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

NZVJMXGKNOLTLA-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)(CCCCCCC[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 750ug/kg (0.75mg/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.