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.
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
Equivalent identifiers for this same structure in other resources.
Activity roles
Every antimicrobial role a source asserts for this compound — the
unreduced evidence behind its antimicrobial_class.
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.