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Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide
RN: 102585-69-3
InChIKey: NHCJKXBBEHRYBN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H35-N3-O.2I

Molecular Weight

  • 551.284
 
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Names and Synonyms

  • 3-Aza-9-azoniabicyclo(3.3.1)nonane, 3-(3-(diethylmethylammonio)propionyl)-9,9-dimethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 102585-69-3

System Generated Number

  • 0102585693

Molecular Formulas

Molecular Formula

  • C17-H35-N3-O.2I

Molecular Formula Fragments

  • C17-H35-N3-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H35N3O.2HI/c1-6-20(5,7-2)12-11-17(21)18-13-15-9-8-10-16(14-18)19(15,3)4;;/h15-16H,6-14H2,1-5H3;2*1H/q+2;;/p-2

InChIKey

NHCJKXBBEHRYBN-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(C(CC[N+](CC)(CC)C)=O)C[C@@H]1CCC2)(C)C.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 43mg/kg (43mg/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.