CAS 4028-98-2

Dequalinium acetate

Description:

Dequalinium acetate is a quaternary ammonium compound characterized by its antiseptic and antimicrobial properties. It is commonly used in various pharmaceutical formulations, particularly in throat lozenges and oral rinses, due to its effectiveness against a range of bacteria and fungi. The compound is typically presented as a white to off-white powder that is soluble in water and exhibits a cationic nature, which enhances its ability to interact with negatively charged microbial membranes. Dequalinium acetate functions by disrupting the integrity of microbial cell membranes, leading to cell death. Additionally, it has been noted for its low toxicity profile when used as directed, making it suitable for topical and oral applications. Its stability under various pH conditions allows for versatility in formulation. However, like many antiseptics, it should be used with caution to avoid potential irritation or allergic reactions in sensitive individuals. Overall, dequalinium acetate is a valuable compound in the field of medicinal chemistry, particularly in the development of antimicrobial agents.

Formula: C₃₀H₄₀N₄·2C₂H₃O₂

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

InChI key: InChIKey=BDMCHWQXAWWRGZ-UHFFFAOYSA-O

SMILES: C(CCCCCCCCC[N+]=1C2=C(C(N)=CC1C)C=CC=C2)[N+]=3C4=C(C(N)=CC3C)C=CC=C4.C(C)([O-])=O

Synonyms:

• Quinaldinium, 1,1′-decamethylenebis[4-amino-, diacetate
• Dequadin acetate
• Quinolinium, 1,1′-(1,10-decanediyl)bis[4-amino-2-methyl-, acetate (1:2)
• Quinolinium, 1,1′-(1,10-decanediyl)bis[4-amino-2-methyl-, diacetate
• 1,1′-Decamethylenebis[4-aminoquinaldinium acetate]

Dequalinium acetate

CAS: 4028-98-2

Dequalinium: quaternary ammonium, bolaamphiphile, mainly as dichloride; also as bromide, iodide, acetate, undecenoate salts.

Formula: C₃₂H₄₃N₄O₂

Color and Shape: Solid

Molecular weight: 515.71

Ref: TM-T0979L