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Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(1-methylpiperidinio)propyl)-, diiodide
RN: 102585-74-0
InChIKey: CNQOESYEBAIYHH-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H37-N3.2I

Molecular Weight

  • 549.311
 
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Names and Synonyms

Synonym

  • 9,9-Dimethyl-3-(3-(1-methylpiperidinio)propyl)-3-aza-9-azoniabicyclo(3.3.1)nonane diiodide

Systematic Name

  • 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9-dimethyl-3-(3-(1-methylpiperidinio)propyl)-, diiodide

Registry Numbers

CAS Registry Number

  • 102585-74-0

System Generated Number

  • 0102585740

Molecular Formulas

Molecular Formula

  • C18-H37-N3.2I

Molecular Formula Fragments

  • C18-H37-N3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H37N3.2HI/c1-20(2)17-9-7-10-18(20)16-19(15-17)11-8-14-21(3)12-5-4-6-13-21;;/h17-18H,4-16H2,1-3H3;2*1H/q+2;;/p-2

InChIKey

CNQOESYEBAIYHH-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(CCC[N+]3(CCCCC3)C)C[C@@H]1CCC2)(C)C.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2400ug/kg (2.4mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 3, Pg. 441, 1961.