Cetylpyridinium chloride

Cetylpyridinium chloride
Names
Preferred IUPAC name
1-Hexadecylpyridin-1-ium chloride
Other names
Acetoquat CPC;
Pyrisept EXADECYL-PYRIDINIUM, CHLORIDE
Identifiers
3D model (JSmol)
3578606
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.004.177
PubChem CID
UNII
  • InChI=1S/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1 Y
    Key: YMKDRGPMQRFJGP-UHFFFAOYSA-M Y
  • InChI=1/C21H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
    Key: YMKDRGPMQRFJGP-REWHXWOFAU
SMILES
  • [Cl-].[n+]1(ccccc1)CCCCCCCCCCCCCCCC
Properties
C21H38ClN
Molar mass 339.99 g·mol−1
Appearance Solid
Melting point 77 °C (171 °F; 350 K)
Pharmacology
B05CA01 (WHO)
Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose)
 36 mg/kg (rabbit, iv)
400 mg/kg (rabbit, oral)
6 mg/kg (rat, ip)
30 mg/kg (rat, iv)
200 mg/kg (rat, oral)
250 mg/kg (rat, sc)
10 mg/kg (mouse, ip)
108 mg/kg (mouse, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is YN ?)
Infobox references

Cetylpyridinium chloride (CPC) is a cationic quaternary ammonium compound used in some types of mouthwashes, toothpastes, lozenges, throat sprays, breath sprays, and nasal sprays. It is an antiseptic that kills bacteria and other microorganisms. It has been shown to be effective in preventing dental plaque and reducing gingivitis. It has also been used as an ingredient in certain pesticides. Though one study seems to indicate cetylpyridinium chloride does not cause brown tooth stains, at least one mouthwash containing CPC as an active ingredient bears the warning label "In some cases, antimicrobial rinses may cause surface staining to teeth," following a failed class-action lawsuit brought by customers whose teeth were stained.

The name breaks down as:

  1. cetyl- means cetyl group, which derives from cetyl alcohol that was first isolated from the whale oil (Latin: cetus);
  2. pyridinium refers to the cation [C5H5NH]+, the conjugate acid of pyridine;
  3. chloride refers to the anion Cl−.
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