Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-nonamethylenebis(3-benzyl-9-methyl-, diiodide
RN: 17713-14-3
InChIKey: PWMDFDGOHHJDCG-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H62-N4.2I

Molecular Weight

  • 840.747
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 9,9'-Nonamethylenebis(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'-nonamethylenebis(3-benzyl-9-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 17713-14-3

System Generated Number

  • 0017713143

Molecular Formulas

Molecular Formula

  • C39-H62-N4.2I

Molecular Formula Fragments

  • C39-H62-N4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C39H62N4.2HI/c1-42(36-22-16-23-37(42)31-40(30-36)28-34-18-10-8-11-19-34)26-14-6-4-3-5-7-15-27-43(2)38-24-17-25-39(43)33-41(32-38)29-35-20-12-9-13-21-35;;/h8-13,18-21,36-39H,3-7,14-17,22-33H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

PWMDFDGOHHJDCG-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(Cc3ccccc3)C[C@@H]1CCC2)(CCCCCCCCC[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 890ug/kg (0.89mg/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.