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522-51-0

Basic Information
CAS No.: 522-51-0
Name: Quinolinium,1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, chloride (1:2)
Molecular Structure:
Molecular Structure of 522-51-0 (Quinolinium,1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, chloride (1:2))
Formula: C30H40Cl2N4
Molecular Weight: 527.57
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
Density:
Melting Point: ≥300 °C(lit.)
Boiling Point:
Flash Point:
Solubility:
Appearance:
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
Transport Information:
PSA: 59.80000
LogP: 1.34060
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  • dequalinium chloride522-51-0

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    522-51-0

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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 C30H40Cl2N4 and 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.