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Substance Name: Ammonium, bis(2-carboxyethyl)diethyl-, iodide, diester with (2-hydroxyethyl)triethylammonium iodide
RN: 17089-56-4
InChIKey: KGWJRKINOLGQSD-UHFFFAOYSA-K

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H56-N3-O4.3I

Molecular Weight

  • 855.445
 
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Names and Synonyms

Synonym

  • (Diethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(triethylammonium) triiodide

Systematic Name

  • Ammonium, bis(2-carboxyethyl)diethyl-, iodide, diester with (2-hydroxyethyl)triethylammonium iodide

Registry Numbers

CAS Registry Number

  • 17089-56-4

System Generated Number

  • 0017089564

Molecular Formulas

Molecular Formula

  • C26-H56-N3-O4.3I

Molecular Formula Fragments

  • C26-H56-N3-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H56N3O4.3HI/c1-9-27(10-2,11-3)21-23-32-25(30)17-19-29(15-7,16-8)20-18-26(31)33-24-22-28(12-4,13-5)14-6;;;/h9-24H2,1-8H3;3*1H/q+3;;;/p-3

InChIKey

KGWJRKINOLGQSD-UHFFFAOYSA-K

Smiles

[N+](CCC(OCC[N+](CC)(CC)CC)=O)(CCC(OCC[N+](CC)(CC)CC)=O)(CC)CC.[IH-].[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 69mg/kg (69mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 13, Pg. 103T, 1961.