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.

CHEBI:23114 CHEBI:23114
CHEBI:35273 CHEBI:35273
CHEBI:35618 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

Equivalent identifiers for this same structure in other resources.

cas:121-54-0
kegg.compound:C12539
kegg.drug:D01140
patent:US2115250
wikipedia.en:3898548
wikipedia.en:Benzethonium_chloride

Activity roles

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

CHEBI:22587 CHEBI:22587
CHEBI:33282 CHEBI:33282
CHEBI:35718 CHEBI:35718
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: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

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.