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Substance Name: Dequalinium acetate
RN: 4028-98-2
UNII: P8W4UX112S
InChIKey: IWYNVAJACBPVLT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H40-N4.2C2-H3-O2

Molecular Weight

  • 574.761
 
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Names and Synonyms

Results Name

  • Dequalinium acetate

Name of Substance

  • 1,1'-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium) diacetate
  • Dequalinium acetate
  • Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, diacetate

Synonyms

  • 1,1'-Decamethylenebis(4-aminoquinaldinium acetate)
  • Decalinium acetate
  • Dequadin acetate
  • Dequalinium acetate
  • EINECS 223-712-5
  • UNII-P8W4UX112S

Systematic Names

  • 1,1'-(Decane-1,10-diyl)bis(4-amino-2-methylquinolinium) diacetate
  • Quinaldinium, 1,1'-decamethylenebis(4-amino-, diacetate
  • Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, diacetate (9CI)

Registry Numbers

CAS Registry Number

  • 4028-98-2

FDA UNII

  • P8W4UX112S

Related Registry Number

  • 6707-58-0 (Parent)

System Generated Number

  • 0004028982

Molecular Formulas

Molecular Formula

  • C30-H40-N4.2C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C30-H40-N4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H38N4.2C2H4O2/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;2*1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H3,(H,3,4)

InChIKey

IWYNVAJACBPVLT-UHFFFAOYSA-N

Smiles

c12[n+](c(cc(c1cccc2)N)C)CCCCCCCCCC[n+]1c2c(c(N)cc1C)cccc2.CC(=O)[O-].CC(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 2gm/kg (2000mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 8, Pg. 110, 1956.