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Substance Name: Quinuclidinium, 3-benzyl-1-(9-(1-methylpyrrolidinio)nonyl)-, diiodide
RN: 21252-33-5
InChIKey: BNJRUQCMSZSMJY-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H49-N2.2I

Molecular Weight

  • 666.501
 
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Names and Synonyms

Synonym

  • 3-Benzyl-1-(9-(1-methylpyrrolidinio)nonyl)quinuclidinium, diiodide

Systematic Name

  • Quinuclidinium, 3-benzyl-1-(9-(1-methylpyrrolidinio)nonyl)-, diiodide

Registry Numbers

CAS Registry Number

  • 21252-33-5

System Generated Number

  • 0021252335

Molecular Formulas

Molecular Formula

  • C28-H49-N2.2I

Molecular Formula Fragments

  • C28-H49-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C28H48N2.2HI/c1-29(19-12-13-20-29)18-10-5-3-2-4-6-11-21-30-22-16-27(17-23-30)28(25-30)24-26-14-8-7-9-15-26;;/h7-9,14-15,27-28H,2-6,10-13,16-25H2,1H3;2*1H/q+2;;/p-2

InChIKey

BNJRUQCMSZSMJY-UHFFFAOYSA-L

Smiles

[IH-].[N+]1(CCCCCCCCC[N+]23CCC(CC3)[C@@H](Cc3ccccc3)C2)(CCCC1)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 940ug/kg (0.94mg/kg)   Russian Pharmacology and Toxicology Vol. 31, Pg. 146, 1968.