benzododecinium bromide

CHEBI:167207 ·resolve ·BIOCIDE ·EXACT SEEDED

The organic bromide salt of benzododecinium. It is a cationic surfactant that has antispetic and disinfectant properties. — 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:48369 CHEBI:48369

Chemical structure

Computed structure properties
Molecular formula	Br.C21H38N
Charge	0
Average mass	384.446 Da
Monoisotopic mass	383.21876 Da
Source	ChEBI
InChIKey	KHSLHYAUZSPBIU-UHFFFAOYSA-M

SMILES

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

InChI

InChI=1S/C21H38N.BrH/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

Ajatin (BRAND_NAME)— chebi
Bacfor BL (BRAND_NAME)— chebi
Sinnoquat BL 95 (BRAND_NAME)— chebi
Sterinol (BRAND_NAME)— chebi
N-benzyl-N,N-dimethyldodecan-1-aminium bromide (EXACT_SYNONYM)— chebi
N-dodecyl-N,N-dimethylbenzenemethanaminium bromide (EXACT_SYNONYM)— chebi
benzyldimethyldodecylammonium bromide (EXACT_SYNONYM)— chebi
benzyldodecyldimethylammonium bromide (EXACT_SYNONYM)— chebi
dimethyl laurylbenzene ammonium bromide (EXACT_SYNONYM)— chebi
dimethyldodecylbenzylammonium bromide (EXACT_SYNONYM)— chebi
dodecyl dimethyl benzyl ammonium bromide (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:7281-04-1
chemspider:22165
reaxys:3579193
wikipedia.en:Benzododecinium_bromide

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:167207`	benzododecinium bromide	`antibioticmech:chebi-9254feb3f0`	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.