modelChloroform
Extends from Pharmacolibrary.Drugs.ATC.N.N01AB02.
Information
| name: | Chloroform | |
| ATC code: | N01AB02 | route: | inhalational |
| compartments: | 1 | |
| dosage: | 1570 | mg |
| volume of distribution: | 1.5 | L |
| clearance: | 35 | mL/min/kg |
| other parameters in model implementation | ||
Chloroform is a volatile halogenated hydrocarbon that was historically used as an inhalational anesthetic. Its use has been discontinued due to its hepatotoxicity, nephrotoxicity, and arrhythmogenic potential, and it is not approved as an anesthetic in modern clinical practice. Chloroform is mainly of historical interest and may be encountered as an environmental contaminant or as a chemical reagent.
Pharmacokinetics
Estimated pharmacokinetic parameters for adult humans from older experimental studies; primarily healthy volunteers. Little controlled human PK data is published.
References
Meek, ME, et al., & Walker, M (2002). Chloroform: exposure estimation, hazard characterization, and exposure-response analysis. Journal of toxicology and environmental health. Part B, Critical reviews 5(3) 283–334. DOI:10.1080/10937400290070080 PUBMED:https://pubmed.ncbi.nlm.nih.gov/12162870
Yang, Y, et al., & Georgopoulos, PG (2010). A Bayesian population PBPK model for multiroute chloroform exposure. Journal of exposure science & environmental epidemiology 20(4) 326–341. DOI:10.1038/jes.2009.29 PUBMED:https://pubmed.ncbi.nlm.nih.gov/19471319
Lyons, MA, et al., & Reisfeld, B (2008). Computational toxicology of chloroform: reverse dosimetry using Bayesian inference, Markov chain Monte Carlo simulation, and human biomonitoring data. Environmental health perspectives 116(8) 1040–1046. DOI:10.1289/ehp.11079 PUBMED:https://pubmed.ncbi.nlm.nih.gov/18709138
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 |
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)