U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C30H40N4.2C2H3O2
Molecular Weight 574.7534
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEQUALINIUM ACETATE

SMILES

CC([O-])=O.CC([O-])=O.CC1=CC(N)=C2C=CC=CC2=[N+]1CCCCCCCCCC[N+]3=C4C=CC=CC4=C(N)C=C3C

InChI

InChIKey=IWYNVAJACBPVLT-UHFFFAOYSA-N
InChI=1S/C30H38N4.2C2H4O2/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;2*1-2(3)4/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H3,(H,3,4)

HIDE SMILES / InChI

Approval Year

Name Type Language
DEQUALINIUM ACETATE
INCI   WHO-DD  
INCI  
Official Name English
QUINOLINIUM, 1,1'-(1,10-DECANEDIYL)BIS(4-AMINO-2-METHYL-, DIACETATE
Systematic Name English
1,1'-(DECANE-1,10-DIYL)BIS(4-AMINO-2-METHYLQUINOLINIUM) DIACETATE
Systematic Name English
Dequalinium acetate [WHO-DD]
Common Name English
DEQUALINIUM ACETATE [INCI]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C795
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
Code System Code Type Description
EVMPD
SUB01591MIG
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
FDA UNII
P8W4UX112S
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
ECHA (EC/EINECS)
223-712-5
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
DRUG BANK
DBSALT002402
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
NCI_THESAURUS
C83662
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID80193267
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
CAS
4028-98-2
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
PUBCHEM
19939
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY
SMS_ID
100000087751
Created by admin on Fri Dec 15 15:14:45 UTC 2023 , Edited by admin on Fri Dec 15 15:14:45 UTC 2023
PRIMARY