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Details

Stereochemistry ACHIRAL
Molecular Formula C21H38N.Cl
Molecular Weight 339.986
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETYLPYRIDINIUM CHLORIDE ANHYDROUS

SMILES

[Cl-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1

InChI

InChIKey=YMKDRGPMQRFJGP-UHFFFAOYSA-M
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

HIDE SMILES / InChI

Molecular Formula C21H38N
Molecular Weight 304.5331
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Cetylpyridinium (used in a form of chloride salt) is a cationic surface-active agent and has a broad antimicrobial spectrum, with rapid killing of gram-positive pathogens and yeast in particular. It is suggested that interaction with bacteria occurs by the disruption of membrane function, leakage of cytoplasmic material, and ultimately the collapse of the intra-cellular equilibrium. The drug is used under various trade names as an oral OTC hygiene product (mouthwash, dental kits, etc.) to control the dental plaque and to prevent the subsequent gingivitis.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
ANTISEPTIC (cetylpyridinium chloride) mouthwash
Curative
ANTISEPTIC (cetylpyridinium chloride) mouthwash

Cmax

ValueDoseCo-administeredAnalytePopulation
10 mg/g
6 μL single, topical
CETYLPYRIDINIUM unknown
Mus musculus

AUC

ValueDoseCo-administeredAnalytePopulation
127 mg × h/g
6 μL single, topical
CETYLPYRIDINIUM unknown
Mus musculus

PubMed

Sample Use Guides

In Vivo Use Guide
Rinse for 30 seconds with 20 ml (4 teaspoonsfuls) twice a day, do not swallow.
Route of Administration: Dental
In Vitro Use Guide
The panel of 24 laboratory strains including 18 oral bacteria, five nonoral bacterialspecies and the yeast Candida albicans was incubated with twofold serial dilutions of the 0.05% cetylpyridinium chloride mouthrinse for 48-72 h at 35 celsius degrees. For the agar dilution assays of cultivable plaque bacte-ria, the drug was added at a final concentration of 1%. MIC values were 1.5-3% for Aggregatibacter actinomycetemcomitans and Capnocytophaga gingivalis, 0.375% for Actinomyces meyeri, Moraxella catarrhalis, Campylobacter rectus, 0.187-0.375 % for Porphyromonas gingivalis, etc.
Substance Class Chemical
Record UNII
6BR7T22E2S
Record Status Validated (UNII)
Record Version