quaternium-15

CHEBI:59607 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A quaternary ammonium salt derived from hexamethylenetetramine; used as a preservative in many cosmetics and industrial substances. Also acts as a disinfectant and allergenic agent. — 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:35273
Label unavailable CHEBI:36683

Chemical structure

Computed structure properties
Molecular formula	C9H16ClN4.Cl
Charge	0
Average mass	251.161 Da
Monoisotopic mass	250.0752 Da
Source	ChEBI
InChIKey	UKHVLWKBNNSRRR-UHFFFAOYSA-M

SMILES

[Cl-].[H]C(Cl)=C([H])C[N+]12CN3CN(CN(C3)C1)C2

InChI

InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1

Also called

1-[3-chloroprop-2-en-1-yl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decanium chloride (EXACT_SYNONYM)— chebi
1-(3-Chloroallyl)-3,5,7-triaza-1-azoniaadamantane chloride (EXACT_SYNONYM)— chebi
1-(3-chloro-2-propenyl)-3,5,7-triaza-1-azoniatricyclo(3.3.1.13,7)decane chloride (EXACT_SYNONYM)— chebi
CTAC (EXACT_SYNONYM)— chebi
Hexamethylenetetramine chloroallyl chloride (EXACT_SYNONYM)— chebi
Methenamine 3-chloroallylochloride (EXACT_SYNONYM)— chebi
N-(3-Chloroallyl)hexaminium chloride (EXACT_SYNONYM)— chebi
quaternium 15 (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.

beilstein:9300843
cas:4080-31-3

Activity roles

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

antibacterial agent CHEBI:33282
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:59607`	quaternium-15	`antibioticmech:chebi-0435a411ef`	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 (YAML).

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