benzododecinium chloride

CHEBI:167208 ·resolve ·BIOCIDE ·EXACT SEEDED

The organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations. — 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:35273 CHEBI:35273
CHEBI:36094 CHEBI:36094

Chemical structure

Computed structure properties
Molecular formula	C21H38N.Cl
Charge	0
Average mass	339.995 Da
Monoisotopic mass	339.26928 Da
Source	ChEBI
InChIKey	JBIROUFYLSSYDX-UHFFFAOYSA-M

SMILES

CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]

InChI

InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

Also called

Catigene OM (BRAND_NAME)— chebi
Catinal CB 50 (BRAND_NAME)— chebi
Catiogen PAN (BRAND_NAME)— chebi
Catiolite BC 50 (BRAND_NAME)— chebi
Cequartyl A (BRAND_NAME)— chebi
Rolcril (BRAND_NAME)— chebi
Swanol (BRAND_NAME)— chebi
Tetranil (BRAND_NAME)— chebi
Zephirol (BRAND_NAME)— chebi
benzododecinii chloridum (INN)— chebi
chlorure de benzododécinium (INN)— chebi
cloruro de benzododecinio (INN)— chebi
N-benzyl-N,N-dimethyldodecan-1-aminium chloride (EXACT_SYNONYM)— chebi
N,N-dimethyl-N-dodecylbenzenemethanaminium chloride (EXACT_SYNONYM)— chebi
N-benzyl-N-dodecyl-N,N-dimethylammonium chloride (EXACT_SYNONYM)— chebi
N-dodecyl-N,N-dimethyl-N-benzylammonium chloride (EXACT_SYNONYM)— chebi
N-dodecyl-N,N-dimethylbenzenemethanaminium chloride (EXACT_SYNONYM)— chebi
N-lauryldimethylbenzylammonium chloride (EXACT_SYNONYM)— chebi
benzyl-dodecyl-dimethylazanium chloride (EXACT_SYNONYM)— chebi
benzyldimethyl-n-dodecylammonium chloride (EXACT_SYNONYM)— chebi
benzyldimethyldodecylammonium chloride (EXACT_SYNONYM)— chebi
benzyldimethyllaurylammonium chloride (EXACT_SYNONYM)— chebi
benzyldodecyldimethylammonium chloride (EXACT_SYNONYM)— chebi
dimethylbenzyldodecylammonium chloride (EXACT_SYNONYM)— chebi
dimethylbenzyllaurylammonium chloride (EXACT_SYNONYM)— chebi
dimethyldodecylbenzylammonium chloride (EXACT_SYNONYM)— chebi
dodecylbenzyldimethylammonium chloride (EXACT_SYNONYM)— chebi
dodecyldimethylbenzylammonium chloride (EXACT_SYNONYM)— chebi
lauryl dimethyl benzyl ammonium chloride (EXACT_SYNONYM)— chebi
laurylbenzyldimethylammonium chloride (EXACT_SYNONYM)— chebi
lauryldimethylbenzylammonium chloride (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:139-07-1
chemspider:8423
kegg.drug:D07210
reaxys:3921689

Activity roles

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

CHEBI:48219 CHEBI:48219

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:167208`	benzododecinium chloride	`antibioticmech:chebi-9a863c79ea`	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.