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Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-trimethylenebis(3-benzyl-9-methyl-, diiodide
RN: 21256-96-2
InChIKey: HDRIULFGJPOKPP-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H50-N4.2I

Molecular Weight

  • 756.586
 
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Names and Synonyms

Synonym

  • 9,9'-Trimethylenebis(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'-trimethylenebis(3-benzyl-9-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 21256-96-2

System Generated Number

  • 0021256962

Molecular Formulas

Molecular Formula

  • C33-H50-N4.2I

Molecular Formula Fragments

  • C33-H50-N4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C33H50N4.2HI/c1-36(30-16-9-17-31(36)25-34(24-30)22-28-12-5-3-6-13-28)20-11-21-37(2)32-18-10-19-33(37)27-35(26-32)23-29-14-7-4-8-15-29;;/h3-8,12-15,30-33H,9-11,16-27H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

HDRIULFGJPOKPP-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)(CCC[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 5300ug/kg (5.3mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

AUTONOMIC NERVOUS SYSTEM: GAGLION BLOCK
Pharmaceutical Chemistry Journal Vol. 2, Pg. 182, 1968.