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Substance Name: Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester
RN: 101611-66-9
InChIKey: HACWHPLOPMLTCY-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'-Hexamethylenebis(3-carboxyquinuclidinium iodide) dimethyl ester

Systematic Name

  • Quinuclidinium, 1,1'-hexamethylenebis(3-carboxy-, diiodide, dimethyl ester

Registry Numbers

CAS Registry Number

  • 101611-66-9

System Generated Number

  • 0101611669

Molecular Formulas

Molecular Formula

  • C24-H42-N2-O4.2I

Molecular Formula Fragments

  • C24-H42-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H42N2O4.2HI/c1-29-23(27)21-17-25(13-7-19(21)8-14-25)11-5-3-4-6-12-26-15-9-20(10-16-26)22(18-26)24(28)30-2;;/h19-22H,3-18H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

HACWHPLOPMLTCY-UHFFFAOYSA-L

Smiles

COC(=O)C1C[N+]2(CCC1CC2)CCCCCC[N+]34CCC(CC3)C(C4)C(=O)OC.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 24mg/kg (24mg/kg)   Fortschritte der Arzneimittelforschung. Progress in Drug Research. Vol. 13, Pg. 293, 1969.