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Substance Name: Dioxonium
RN: 37069-07-1
InChIKey: PMGGFTVJVZZSFU-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H38-N2-O4.2I

Molecular Weight

  • 624.3302
 
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Names and Synonyms

Name of Substance

  • Dioxonium

Synonyms

  • 1,1'-(1,2-Ethanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methylpyrrolidinium iodide)
  • 1,2-bis(4-pyrrolidinomethyl-1,3-dioxolan-2-yl)ethane dimethiodide
  • Dioxonium

Systematic Names

  • 1,2-Bis(4'-pyrrolidinomethyl-1,3'-dioxolan-2-yl)ethane dimethyl iodide
  • Pyrrolidinium, 1,1'-(1,2-ethanediylbis(1,3-dioxolane-2,4-diylmethylene))bis(1-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 37069-07-1

System Generated Number

  • 0037069071

Molecular Formulas

Molecular Formula

  • C20-H38-N2-O4.2I

Molecular Formula Fragments

  • C20-H38-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H38N2O4.2HI/c1-21(9-3-4-10-21)13-17-15-23-19(25-17)7-8-20-24-16-18(26-20)14-22(2)11-5-6-12-22;;/h17-20H,3-16H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

PMGGFTVJVZZSFU-UHFFFAOYSA-L

Smiles

[N+]1(CCCC1)(CC1COC(O1)CCC1OC(CO1)C[N+]1(CCCC1)C)C.[I-].[I-]

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.
mouse LD50 unreported 1mg/kg (1mg/kg)   Russian Pharmacology and Toxicology Vol. 35, Pg. 70, 1972.
rat LD50 unreported 400ug/kg (0.4mg/kg)   Russian Pharmacology and Toxicology Vol. 35, Pg. 70, 1972.