CAS No.522-51-0,Dequalinium chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	522-51-0
Name:	Dequalinium chloride
Article Data:	3

Formula:	C₃₀H₄₀Cl₂N₄
Molecular Weight:	527.58
Synonyms:	1,1'-Decamethylenebis[4-aminoquinaldiniumchloride] (6CI,7CI);Quinaldinium, 1,1'-decamethylenebis[4-amino-, dichloride(8CI);Quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, dichloride(9CI);BADQ 10;Decamethylenebis[4-aminoquinaldinium chloride];Decamine (pharmaceutical);Decatylen;Dekamiln;Dequacets;Dequadin;Dequafungen;Dequavagyn;Dequavet;Eriosept;Fluomycin N;Ivazil;Optipect;Phylletten;Rumilet;Sentril;
EINECS:	208-330-9
Melting Point:	≥300 °C(lit.)
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36-37/39
PSA:	59.80000
LogP:	1.34060

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Specification

The CAS register number of Dequalinium chloride is 522-51-0. It also can be called as 1,1'-(1,10-Decanediyl)bis[4-amino-2-methyl-quinolinium dichloride and the IUPAC name about this chemical is 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine dichloride. The molecular formula about this chemical is C₃₀H₄₀Cl₂N₄and the molecular weight is 527.57. It belongs to the Potassium channel. This chemical is a topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.

Physical properties about Dequalinium chloride are: (1)#H bond acceptors: 4; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 13; (4)Polar Surface Area: 14.24Å²; (5)H-Bond Donor: 2; (6)H-Bond Acceptor: 4; (7)Rotatable Bond Count: 11; (8)Tautomer Count: 2; (9)Exact Mass: 526.263003; (10)MonoIsotopic Mass: 526.263003; (11)Topological Polar Surface Area: 59.8; (12)Heavy Atom Count: 36; (13)Complexity: 532; (14)Covalently-Bonded Unit Count: 3.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[Cl-].c12ccccc1c(cc([n+]2CCCCCCCCCC[n+]4c3ccccc3c(N)cc4C)C)N
(2)InChI: InChI=1/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
(3)InChIKey: LTNZEXKYNRNOGT-UHFFFAOYAQ
(4)Std. InChI: 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
(5)Std. InChIKey: LTNZEXKYNRNOGT-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	18300ug/kg (18.3mg/kg)	LIVER: FATTY LIVER DEGERATION KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	Journal of Pharmaceutical Sciences. Vol. 82, Pg. 231, 1993.
mouse	LD50	intravenous	1900ug/kg (1.9mg/kg)	LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Journal of Pharmacy and Pharmacology. Vol. 8, Pg. 110, 1956.
mouse	LD50	subcutaneous	70mg/kg (70mg/kg)		Journal of Pharmacy and Pharmacology. Vol. 8, Pg.