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.

Label unavailable 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

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:522-51-0
reaxys:5900124

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

kegg.drug:D01575

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

Activity roles

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

antifungal agent 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
RESEEDED_FROM_SOURCES 2026-09-10 · 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 (YAML).

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