modelCetylpyridinium
Extends from Pharmacolibrary.Drugs.ATC.B.B05CA01.
Information
| name: | Cetylpyridinium | |
| ATC code: | B05CA01 | route: | oral |
| compartments: | 1 | |
| dosage: | 2.0 | mg |
| volume of distribution: | 50 | L |
| clearance: | 10 | L/h |
| other parameters in model implementation | ||
Cetylpyridinium is a quaternary ammonium compound with antiseptic properties, commonly used as a cationic surfactant and disinfectant. It is mainly used in oral care products such as mouthwashes and lozenges for its antibacterial activity against Gram-positive bacteria. Cetylpyridinium is not typically used systemically and lacks clinical approval for systemic therapeutic indications. It remains an approved agent in oral hygiene.
Pharmacokinetics
No published data available for human systemic pharmacokinetics. Systemic exposure is negligible due to local use and minimal absorption. Parameters are estimated based on physicochemical profile and assumptions.
References
Matsuo, K, et al., & Van Meerbeek, B (2019). Rechargeable anti-microbial adhesive formulation containing cetylpyridinium chloride montmorillonite. Acta biomaterialia 100 388–397. DOI:10.1016/j.actbio.2019.09.045 PUBMED:https://pubmed.ncbi.nlm.nih.gov/31568874
Kozak, KM, et al., & White, DJ (2005). Efficacy of a high bioavailable cetylpyridinium chloride mouthrinse over a 24-hour period: a plaque imaging study. American journal of dentistry 18 Spec No 18A–23A. PUBMED:https://pubmed.ncbi.nlm.nih.gov/16178132
Parameters
| Type | Name | Default | Description |
|---|---|---|---|
| Modelica.Units.SI.Mass | weight (from PK_1C) | 75 | patient weight (kg) |
| Modelica.Units.SI.SpecificVolume | VdPerKg (from PK_1C) | 0.9 | Volume of distribution (L/kg) |
| Modelica.Units.SI.MassFraction | F (from PK_1C) | 0.8 | bioavailiability (0-1) |
| Pharmacolibrary.Types.Clearance | Cl (from PK_1C) | 20 | clearance |
| Modelica.Units.SI.Time | adminTime (from PK_1C) | 60 | first administration time (s) |
| Modelica.Units.SI.Time | adminDuration (from PK_1C) | 600 | administration duration (s) |
| Modelica.Units.SI.Time | adminPeriod (from PK_1C) | 8*60*60 | period of administration (default 8 hours)(s) |
| Pharmacolibrary.Types.Mass | adminMass (from PK_1C) | 1000 | administration mass (mg) |
| Integer | adminCount (from PK_1C) | 8 | number of dose administered (1) |
| Pharmacolibrary.Types.Volume | Vd (from PK_1C) | VdPerKg*weight | Volume of distribution (m3) |
| Pharmacolibrary.Types.MassConcentration | Cmin (from PK_1C) | 0.004 | minimal therapeutic range |
| Pharmacolibrary.Types.MassConcentration | Cmax (from PK_1C) | 0.008 | minimal therapeutic range |
| Pharmacolibrary.Types.MassConcentration | Ctox_peak (from PK_1C) | 0.012 | toxicity peak level |
| Pharmacolibrary.Types.MassConcentration | Ctox_trough (from PK_1C) | 0.006 | toxicity trough level |
| Pharmacolibrary.Types.TransferRate | ka (from PK_1C_enteral) | 0.016666666666666666 | first order absorption rate |
| Modelica.Units.SI.Time | Tlag (from PK_1C_enteral) | 600 | delay between oral administration and absorption (default 10min) |
Connectors
| Type | Name | Default | Description |
|---|---|---|---|
| Types.ConcentrationOutput | C_central (from PK_1C) | ||
| Interfaces.ConcentrationPort_b | centralCPort (from PK_1C) |
Components
| Type | Name | Default | Description |
|---|---|---|---|
| Pharmacokinetic.NoPerfusedTissueCompartment | central (from PK_1C) | ||
| Pharmacokinetic.ClearanceDrivenElimination | elim (from PK_1C) | ||
| Sources.PeriodicDose | periodicDose (from PK_1C) | ||
| Modelica.Units.SI.Time | t1_2 (from PK_1C) | elimination half-life |
Revisions
- 06/2025 Tomas Kulhanek, generated model from data extracted from PUBMED, DrugBank and LLM(GPT4.1)