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Substance Name: Pyrrolidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1,2-dimethyl-, diiodide
RN: 101699-76-7
InChIKey: JPHVYHBCABUTIG-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H42-N2-O4.2I

Molecular Weight

  • 676.4058
 
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Names and Synonyms

Synonym

  • 1,1'-(m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(1,2-dimethylpyrrolidinium iodide)

Systematic Name

  • Pyrrolidinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(1,2-dimethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 101699-76-7

System Generated Number

  • 0101699767

Molecular Formulas

Molecular Formula

  • C24-H42-N2-O4.2I

Molecular Formula Fragments

  • C24-H42-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H42N2O4.2HI/c1-19-8-6-12-25(19,3)15-21(27)17-29-23-10-5-11-24(14-23)30-18-22(28)16-26(4)13-7-9-20(26)2;;/h5,10-11,14,19-22,27-28H,6-9,12-13,15-18H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

JPHVYHBCABUTIG-UHFFFAOYSA-L

Smiles

CC1CCC[N+]1(C)CC(COc2cccc(c2)OCC(C[N+]3(CCCC3C)C)O)O.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500ug/kg (1.5mg/kg)   Farmakologiya i Toksikologiya Vol. 24, Pg. 695, 1961.