Compound Summary
Compound Information
dequalinium chloride
Compound Name: | dequalinium chloride |
Compound CID: | 10649 |
Synonyms: | dequalinium chloride 522-51-0 Dequalinium Dichloride Dequafungan Danical More... |
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 |
InChIKey: | LTNZEXKYNRNOGT-UHFFFAOYSA-N |
Canonical Smiles: | CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-] |
Isomeric Smiles: | CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-] |
Molecular Weight: | 527.6 |
Molecular Formula: | C30H40Cl2N4 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
dequalinium chloride
Molecular Weight: | 527.6 |
Molecular Formula: | C30H40Cl2N4 |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 11 |
Heavy Atom Count: | 36 |
Complexity: | 532 |
Synonyms
dequalinium chloride
| dequalinium chloride | dequalinium chloride |
|---|---|
dequalinium chloride |
522-51-0 |
Dequalinium Dichloride |
Dequafungan |
Danical |
Decabis |
Dequalinium (Chloride) |
Dequadin |
Labosept |
Evazol |
Sorot |
Dequalinii chloridum |
Dekadin |
Dekamin |
Dequavagyn |
Dequavet |
Erosept |
Grocreme |
Oralgol |
Polycidine |
Rumilet |
Sanoral |
Sentril |
Cloruro de decalinio |
Efisol |
Ivazil |
Dequalin chloride |
Chlorure de dequalinium |
Dequalinum Chloride |
UNII-XYS8INN1I6 |
1,1-Decamethylenebis(4-aminoquinaldinium chloride) |
BAQD 10 |
XYS8INN1I6 |
Decamethylenebis(4-aminoquinaldinium chloride) |
CHEBI:31466 |
Decaminum |
Decosan |
Dekuarin |
Eriosept |
Gorgine |
Optipect |
Phylletten |
Angils |
Vaster |
Dynexan-mhp |
1,1-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium) dichloride" |
Quinolinium, 1,1-(1,10-decanediyl)bis4-amino-2-methyl-, dichloride |
1-10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl-2-methylquinolin-1-ium-4-amine;dichloride |
Decamine (pharmaceutical) |
1,1-(decane-1,10-diyl)bis(4-amino-2-methylquinolin-1-ium) chloride" |
Quinolinium, 1,1-(1,10-decanediyl)bis(4-amino-2-methyl-, dichloride |
CHEMBL121663 |
Dequalinio cloruro |
Dequalinio cloruro DCIT |
C30H40Cl2N4 |
Dequalinii chloridum INN-Latin |
NSC-166454 |
SR-01000075814 |
NCGC00015339-02 |
CAS-522-51-0 |
Cloruro de decalinio INN-Spanish |
EINECS 208-330-9 |
Dequalinium chloride INN:BAN:JAN |
Chlorure de dequalinium INN-French |
NSC 166454 |
Nordman (TN) |
1,10-Decamethylene-bis(4-aminoquinaldinium chloride) |
Quinaldinium, 1,1-decamethylenebis(4-amino)-, dichloride |
DSSTox_CID_25144 |
DSSTox_RID_80700 |
DSSTox_GSID_45144 |
SCHEMBL34043 |
BAQD-10 |
SPECTRUM1503127 |
DTXSID3045144 |
Dequalinium chloride (JAN/INN) |
HMS502F14 |
AMY3365 |
Quinaldinium, 1,1-decamethylenebis(4-amino-, dichloride |
HMS1569M17 |
HMS1922G11 |
HMS2096M17 |
HMS3261C17 |
HMS3713M17 |
BCP21273 |
HY-B0567 |
Tox21_110128 |
Tox21_500338 |
s4066 |
AKOS015895242 |
CCG-213734 |
LP00338 |
MCULE-5255183860 |
NCGC00093777-01 |
NCGC00093777-02 |
NCGC00093777-03 |
NCGC00261023-01 |
AS-76177 |
DB-052103 |
EU-0100338 |
FT-0603110 |
ST50981059 |
D 3768 |
D01575 |
F21484 |
A829001 |
Q5261117 |
SR-01000075814-1 |
SR-01000075814-3 |
SR-01000075814-6 |
SR-01000075814-7 |
W-105841 |
1,1-Decamethylenebis(4-aminoquinaldinium) dichloride" |
1,1-(decane-1,10-diyl)bis(4-amino-2-methylquinolinium) chloride" |
1,1-decane-1,10-diylbis(4-amino-2-methylquinolinium) dichloride |
DECA; Dequavagyn; NSC 166454; NSC-166454; NSC166454 |
Dequalinium chloride, European Pharmacopoeia (EP) Reference Standard |
1-(2,4-DIAMINO-5-PYRIMIDINYL)METHYL-PYRIDINIUMBROMIDEMONOHYDROBROMIDE |
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)bis4-amino-2-methyl-, chloride (1:2) |
1-10-(4-amino-2-methyl-quinolin-1-ium-1-yl)decyl-2-methyl-quinolin-1-ium-4-amine dichloride hydrate |
Experimental Data
dequalinium chloride
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 100 | umol/L | 16.41 | 16.47 | 0.3973 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 10 | umol/L | 15.17 | 14.59 | -3.795 | NS | N2 | 33008901 | Inactive | ||||
| Caenorhabditis elegans | 33 | umol/L | -52 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
dequalinium chloride
Statistics Data
dequalinium chloride
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0.3973 | 2 | 3 |
Statistics Data Visualization
dequalinium chloride
