D3768
Dequalinium chloride hydrate
≥95% (titration)
Synonym(s):
1,1′-Decamethylenebis(4-aminoquinaldinium) dichloride hydrate
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About This Item
Empirical Formula (Hill Notation):
C30H40Cl2N4 · xH2O
CAS Number:
Molecular Weight:
527.57 (anhydrous basis)
UNSPSC Code:
12352200
PubChem Substance ID:
EC Number:
208-330-9
MDL number:
Assay:
≥95% (titration)
Form:
powder
assay
≥95% (titration)
form
powder
mp
≥300 °C (lit.)
SMILES string
O.[Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34
InChI
1S/C30H38N4.2ClH.H2O/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;1H2
InChI key
CZCJAGQJOXJBST-UHFFFAOYSA-N
Biochem/physiol Actions
Dequalinium chloride is a selective blocker of apamin-sensitive K+ channels and inhibitor of XIAP (X-linked inhibitor of apoptosis protein). Has been shown to induce cytotoxicity in human acute promyelocytic leukemia NB4 cells through disturbance of mitochondrial function, oxidative stress, and downregulation of Raf/MEK/ERK and PI3K/Akt signaling pathways.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
11 - Combustible Solids
wgk
WGK 3
ppe
dust mask type N95 (US), Eyeshields, Gloves
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