modelChlorhexidine

Extends from Pharmacolibrary.Drugs.ATC.B.B05CA02.

Information

name:	Chlorhexidine
ATC code:	B05CA02
route:	oral
compartments:	1
dosage:	10	mg
volume of distribution:	0.5	L
clearance:	0.2	L/h/kg
other parameters in model implementation

Chlorhexidine is a bisbiguanide antiseptic and disinfectant used primarily for skin disinfection before surgery and for sterilizing surgical instruments. It is also widely used as a topical antimicrobial agent in mouthwashes for gingivitis. Chlorhexidine is approved and routinely used today; however, systemic administration is rare due to low absorption and potential toxicity.

Pharmacokinetics

Pharmacokinetic estimates for healthy adult humans after accidental oral and intravenous exposure, as well as repeat oral and topical usage. Due to very poor oral absorption, limited systemic PK data exist. Typical PK parameters are modeled based on known ADME features and preclinical/infrequent clinical reports.

References

Toljanic, JA, et al., & Shapiro, RD (1992). Evaluation of the substantivity of a chlorhexidine oral rinse in irradiated head and neck cancer patients. Journal of oral and maxillofacial surgery : official journal of the American Association of Oral and Maxillofacial Surgeons 50(10) 1055–1059. DOI:10.1016/0278-2391(92)90490-q PUBMED:https://pubmed.ncbi.nlm.nih.gov/1527659
Lim, SY, et al., & Heard, CM (2020). Mucoadhesive thin films for the simultaneous delivery of microbicide and anti-inflammatory drugs in the treatment of periodontal diseases. International journal of pharmaceutics 573 118860–None. DOI:10.1016/j.ijpharm.2019.118860 PUBMED:https://pubmed.ncbi.nlm.nih.gov/31759104
Salmanli, M, et al., & Tuzuner, T (2021). Investigation of the antimicrobial activities of various antimicrobial agents on Streptococcus Mutans Sortase A through computer-aided drug design (CADD) approaches. Computer methods and programs in biomedicine 212 106454–None. DOI:10.1016/j.cmpb.2021.106454 PUBMED:https://pubmed.ncbi.nlm.nih.gov/34656905

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)	86060	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	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)