Dequalinium chloride
[CAS# 6707-58-0]

Identification

• Name: Dequalinium chloride
• Synonyms: 1-[10-(4-Amino-2-Methyl-Quinolin-1-Ium-1-Yl)Decyl]-2-Methyl-Quinolin-1-Ium-4-Amine Dichloride; 1-[10-(4-Amino-2-Methyl-1-Quinolin-1-Iumyl)Decyl]-2-Methyl-4-Quinolin-1-Iumamine Dichloride; [1-[10-(4-Amino-2-Methyl-Quinolin-1-Ium-1-Yl)Decyl]-2-Methyl-Quinolin-1-Ium-4-Yl]Amine Dichloride
• Molecular Formula: C₃₀H₄₀Cl₂N₄
• Molecular Weight: 527.58
• CAS Registry Number: 6707-58-0
• SMILES: C1=CC=CC2=C(N)C=C([N+](=C12)CCCCCCCCCC[N+]3=C4C(=C(N)C=C3C)C=CC=C4)C.[Cl-].[Cl-]
• InChI: 1S/C30H38N4.2ClH/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: LTNZEXKYNRNOGT-UHFFFAOYSA-N

References

• (1): Yuan et al.. Genetic mapping targets of differential chemical phenotypes in Plasmodium falciparum, Nature Chemical Biology, 2009