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Substance Name: Dequalinium iodide
RN: 2019-42-3
InChIKey: BTXPITUAZUILEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H40-N4.2I

Molecular Weight

  • 710.474
 
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Names and Synonyms

Results Name

  • Dequalinium iodide

Synonyms

  • 1,1'-Decamethylenebis(4-aminoquinaldinium iodide)
  • Dequalinium iodide
  • EINECS 217-964-5
  • Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, diiodide

Systematic Names

  • 1,1'-(Decane-1,10-diyl)bis(4-amino-2-methylquinolinium) diiodide
  • Quinaldinium, 1,1'-decamethylenebis(4-amino-, diiodide

Registry Numbers

CAS Registry Number

  • 2019-42-3

Related Registry Number

  • 6707-58-0 (Parent)

System Generated Number

  • 0002019423

Molecular Formulas

Molecular Formula

  • C30-H40-N4.2I

Molecular Formula Fragments

  • C30-H40-N4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C30H38N4.2HI/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H

InChIKey

BTXPITUAZUILEM-UHFFFAOYSA-N

Smiles

c1c2c(cc([n+](CCCCCCCCCC[n+]3c4c(c(cc3C)N)cccc4)c2ccc1)C)N.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 21mg/kg (21mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 8, Pg. 110, 1956.