benzethonium chloride

CHEBI:31264 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses. — 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:23114
Label unavailable CHEBI:35273
Label unavailable CHEBI:35618

Chemical structure

Computed structure properties
Molecular formula	C27H42NO2.Cl
Charge	0
Average mass	448.091 Da
Monoisotopic mass	447.29041 Da
Source	ChEBI
InChIKey	UREZNYTWGJKWBI-UHFFFAOYSA-M

SMILES

CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]

InChI

InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

Also called

Anti-germ 77 (BRAND_NAME)— chebi
Antiseptol (BRAND_NAME)— chebi
Banagerm (BRAND_NAME)— chebi
Diapp (BRAND_NAME)— chebi
Disilyn (BRAND_NAME)— chebi
Hyamine (BRAND_NAME)— chebi
Hyamine 1622 (BRAND_NAME)— chebi
Inactisol (BRAND_NAME)— chebi
Kylacol (BRAND_NAME)— chebi
Microklenz (BRAND_NAME)— chebi
Neostelin green (BRAND_NAME)— chebi
Phemeride (BRAND_NAME)— chebi
Phemerol chloride (BRAND_NAME)— chebi
Phemithyn (BRAND_NAME)— chebi
Polymine D (BRAND_NAME)— chebi
QAC (BRAND_NAME)— chebi
Quatrachlor (BRAND_NAME)— chebi
Salanine (BRAND_NAME)— chebi
Sanizol (BRAND_NAME)— chebi
Solamin (BRAND_NAME)— chebi
Solamine (BRAND_NAME)— chebi
benzethonii chloridum (INN)— chebi
chlorure de benzéthonium (INN)— chebi
cloruro de benzetonio (INN)— chebi
N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride (EXACT_SYNONYM)— chebi
BZT (EXACT_SYNONYM)— chebi
N,N-dimethyl-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium chloride (EXACT_SYNONYM)— chebi
benzetonium chloride (EXACT_SYNONYM)— chebi
benzyldimethyl(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride (EXACT_SYNONYM)— chebi
benzyldimethyl(2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride (EXACT_SYNONYM)— chebi
benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride (EXACT_SYNONYM)— chebi
diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride (EXACT_SYNONYM)— chebi
diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride (EXACT_SYNONYM)— chebi
p-diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chloride (EXACT_SYNONYM)— chebi
p-tert-octylphenoxyethoxyethyldimethylbenzylammonium chloride (EXACT_SYNONYM)— chebi
{2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium chloride (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.

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:D01140

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.

antiviral agent CHEBI:22587
antibacterial agent CHEBI:33282
antifungal agent CHEBI:35718
disinfectant 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:31264`	benzethonium chloride	`antibioticmech:chebi-e4e25a5895`	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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