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Substance Name: Pyrrolidinium, 1,1'-(1,8-octanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methyl-, diiodide
RN: 35096-61-8
InChIKey: SYMKFCVLLMWNCA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H50-N2-O4.2I

Molecular Weight

  • 708.491
 
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Names and Synonyms

Synonyms

  • 1,1'-(1,8-Octanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methylpyrrolidinium) diiodide
  • 1,8-Bis-(4'-pyrrolidinomethyl-1',3'-dioxolanyl-2')-octane dimethyl iodide

Systematic Name

  • Pyrrolidinium, 1,1'-(1,8-octanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 35096-61-8

System Generated Number

  • 0035096618

Molecular Formulas

Molecular Formula

  • C26-H50-N2-O4.2I

Molecular Formula Fragments

  • C26-H50-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H50N2O4.2HI/c1-27(15-9-10-16-27)19-23-21-29-25(31-23)13-7-5-3-4-6-8-14-26-30-22-24(32-26)20-28(2)17-11-12-18-28;;/h23-26H,3-22H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

SYMKFCVLLMWNCA-UHFFFAOYSA-L

Smiles

C(CCCCCCC[C@@H]1OC[C@@H](O1)C[N+]1(CCCC1)C)[C@@H]1OC[C@@H](C[N+]2(CCCC2)C)O1.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1mg/kg (1mg/kg)   Pharmaceutical Chemistry Journal Vol. 6, Pg. 75, 1972.