AntibioticMech

dequalinium

CHEBI:41872 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:52837 CHEBI:52837

Chemical structure

Computed structure properties

Molecular formula	C30H40N4
Charge	2
Average mass	456.678 Da
Monoisotopic mass	456.3242 Da
Source	ChEBI
InChIKey	PCSWXVJAIHCTMO-UHFFFAOYSA-P

SMILES

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

InChI

InChI=1S/C30H38N4/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/p+2

Cross-references

Equivalent identifiers for this same structure in other resources.

• cas:6707-58-0
• drugcentral:4376
• lincs.smallmolecule:LSM-5846
• pdb-ccd:DEQ
• reaxys:3741219
• 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:41872	dequalinium	antibioticmech:chebi-618285b7e3	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.