dequalinium chloride

CHEBI:31466 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An organic chloride salt that is the dichloride salt of dequalinium. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:36094 CHEBI:36094

Chemical structure

Computed structure properties
Molecular formula	C30H40N4.2Cl
Charge	0
Average mass	527.584 Da
Monoisotopic mass	526.263 Da
Source	ChEBI
InChIKey	LTNZEXKYNRNOGT-UHFFFAOYSA-N

SMILES

Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21.[Cl-].[Cl-]

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

Also called

chlorure de dequalinium (INN)— chebi
cloruro de decalinio (INN)— chebi
dequalinii chloridum (INN)— chebi
1,1'-decane-1,10-diylbis(4-amino-2-methylquinolinium) dichloride (EXACT_SYNONYM)— chebi
1,1'-(1,10-Decanediyl)bis(4-amino-2-methylquinolinium) dichloride (EXACT_SYNONYM)— chebi
1,1'-Decamethylenebis(4-aminoquinaldinium chloride) (EXACT_SYNONYM)— chebi
Decamethylenebis(4-aminoquinaldinium chloride) (EXACT_SYNONYM)— chebi
dequalinium dichloride (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:522-51-0
kegg.drug:D01575
patent:US2011015673
reaxys:5900124
wikipedia.en:Dequalinium

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:35718 CHEBI:35718

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:31466`	dequalinium chloride	`antibioticmech:chebi-7dd7c4fd6c`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.