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

Details

Stereochemistry ACHIRAL
Molecular Formula C30H40N4.2C7H5O3
Molecular Weight 730.891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEQUALINIUM SALICYLATE

SMILES

OC1=CC=CC=C1C([O-])=O.OC2=CC=CC=C2C([O-])=O.CC3=CC(N)=C4C=CC=CC4=[N+]3CCCCCCCCCC[N+]5=C6C=CC=CC6=C(N)C=C5C

InChI

InChIKey=KJKANYXQJTTYMC-UHFFFAOYSA-N
InChI=1S/C30H38N4.2C7H6O3/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*8-6-4-2-1-3-5(6)7(9)10/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1-4,8H,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C30H38N4
Molecular Weight 454.6495
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H6O3
Molecular Weight 138.1207
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:01:56 UTC 2023
Edited
by admin
on Fri Dec 15 19:01:56 UTC 2023
Record UNII
65A568ZIJ4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEQUALINIUM SALICYLATE
WHO-DD  
Common Name English
DEQUALINIUM SALYCILATE [JAN]
Common Name English
SALICYLIC ACID, ION(1-), 1,1'-DECAMETHYLENEBIS(4-AMINOQUINALDINIUM)
Common Name English
QUINOLINIUM, 1,1'-(1,10-DECANEDIYL)BIS(4-AMINO-2-METHYL-, 2-HYDROXYBENZOATE (1:2)
Common Name English
Dequalinium salicylate [WHO-DD]
Common Name English
DEQUALINIUM SALYCILATE
JAN  
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
240-157-4
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY
RXCUI
236549
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY RxNorm
EVMPD
SUB01592MIG
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY
FDA UNII
65A568ZIJ4
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY
CAS
16022-70-1
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY
EPA CompTox
DTXSID60166838
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY
PUBCHEM
54683736
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY
SMS_ID
100000087754
Created by admin on Fri Dec 15 19:01:56 UTC 2023 , Edited by admin on Fri Dec 15 19:01:56 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE