AG019FVH

522-51-0 | Dequalinium Chloride

AG019FVH

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CAS Number	522-51-0
Catalog Number	AG019FVH(AGN-PC-0JK9MU)
Chemical Name	Dequalinium Chloride
EC Number	208-330-9
IUPAC Name	1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichloride
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
InChI Key	LTNZEXKYNRNOGT-UHFFFAOYSA-N
MDL Number	MFCD00063502
Molecular Formula	C30H40Cl2N4
Molecular Weight	527.5714
SMILES	CC1=[N+](C2=CC=CC=C2C(N)=C1)CCCCCCCCCC[N+](C3=CC=CC=C3C(N)=C4)=C4C.[Cl-].[Cl-]
UNII	XYS8INN1I6
Synonyms	Acetate, Dequalinium, Chloride, Dequalinium, Decamine, Dequadin, Dequalinium, Dequalinium Acetate, Dequalinium Chloride, Dequalinium Di-10-undecenoate, Dequalinium Diacetate, Dequalinium Dibromide, Dequalinium Dichloride, Dequalinium Diiodide, Dequalinium Diundecenoate, Di-10-undecenoate, Dequalinium, Diacetate, Dequalinium, Dibromide, Dequalinium, Dichloride, Dequalinium, Diiodide, Dequalinium, Diundecenoate, Dequalinium, Dynexan MHP, Dynexan-MHP, Evazol, Fluomycin, Gargilon, Gurgellösung Ratiopharm, Gurgellösung-ratiopharm, Labosept, Maltyl, Solvidont, Sorot, dequalinium chloride, 522-51-0, Dequalinium Dichloride, Dequafungan, Danical, Decabis, Decaminum, Decosan, Dekuarin, Eriosept, Erosept, Gorgine, Grocreme, Optipect, Phylletten, Angils, Efisol, Evazol, Vaster, Dequalinum Chloride, Dequalinii chloridum, Decamine, Dekadin, Dekamin, Dequadin, Dequavagyn, Dequavet, Labosept, Oralgol, Polycidine, Rumilet, Sanoral, Sentril, Cloruro de decalinio, Ivazil, Sorot, DECA, BAQD 10, Dequalin chloride, Chlorure de dequalinium, Dequalinium (Chloride), Dynexan-mhp, Decamine (pharmaceutical), UNII-XYS8INN1I6, Dequalinio cloruro [DCIT], 1,1'-Decamethylenebis(4-aminoquinaldinium chloride), Dequalinii chloridum [INN-Latin], Dequalinium chloride hydrate, Decamethylenebis(4-aminoquinaldinium chloride), Cloruro de decalinio [INN-Spanish], EINECS 208-330-9, Dequalinium chloride [INN:BAN:JAN], XYS8INN1I6, Chlorure de dequalinium [INN-French], NSC 166454, CHEBI:31466, 1,10-Decamethylene-bis(4-aminoquinaldinium chloride), Quinaldinium, 1,1'-decamethylenebis(4-amino)-, dichloride, 1,1'-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium) dichloride, W-105841, Quinaldinium, 1,1'-decamethylenebis(4-amino-, dichloride, Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, dichloride, Quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, dichloride, CHEMBL121663, Dequalinio cloruro, 1,1 inverted exclamation marka-Decamethylenebis(4-aminoquinaldinium) dichloride, 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine;dichloride, C30H40N4, SR-01000075814, NCGC00015339-02, CAS-522-51-0, C30H40Cl2N4, dequalinium-chloride, Nordman (TN), AC1L1VNG, DSSTox_CID_25144, DSSTox_RID_80700, DSSTox_GSID_45144, SCHEMBL34043, SPECTRUM1503127, DTXSID3045144, CTK8F9037, Dequalinium chloride (JAN/INN), HMS502F14, HMS1569M17, HMS1922G11, HMS2096M17, HMS3261C17, HMS3713M17, BCP21273, HY-B0567, Tox21_110128, Tox21_500338, BN0180, s4066, AKOS015895242, API0014417, CCG-213734, CS-2676, LP00338, MCULE-5255183860, NCGC00093777-01, NCGC00093777-02, NCGC00093777-03, NCGC00261023-01, CC-26341, SC-22665, AB1003158, LS-139898, TL8003449, EU-0100338, FT-0603110, ST50981059, D 3768, D01575, C-23091, I06-0264, SR-01000075814-1, SR-01000075814-3, SR-01000075814-6, SR-01000075814-7, 1,1'-Decamethylenebis(4-aminoquinaldinium) dichloride, 1,1'-DECAMETHYLENEBIS(4-AMINOQUINALDINIUM CHLORIDE, 1,1'-(decane-1,10-diyl)bis(4-amino-2-methylquinolinium) chloride, 1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) dichloride, Dequalinium chloride, European Pharmacopoeia (EP) Reference Standard, 1-[10-(4-amino-2-methylquinolyl)decyl]-2-methyl-4-quinolylamine, chloride, chl oride, Dequalinium chloride for performance test, European Pharmacopoeia (EP) Reference Standard, Dequalinium chloride, Pharmaceutical Secondary Standard; Certified Reference Material, Quinolinium, 1,1'-(1,10-decanediyl)bis(4-amino-2-methyl-, dichloride (9CI), quinolinium, 1,1'-(1,10-decanediyl)bis[4-amino-2-methyl-, chloride (1:2), 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine dichloride, Dequadin chloride, GNF-Pf-5483, C30-H40-N4.2Cl, CID10649, Dequalinium chloride [BAN:INN:JAN], B2191, C(CCCCCCCCCn1c(C)cc(N)c2ccccc12)n3c(C)cc(N)c4ccccc34,

Complexity	532
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	526.263g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	527.578g/mol
Monoisotopic Mass	526.263g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	59.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number