Computer- aided biopharmaceutical characterization: gastrointestinal absorption simulation - Computer-Aided Applications in Pharmaceutical Technology - page 197

Summary of the CBZ input parameters employed for
GI simulation (data from Kovacevic et al., 2009)

Table 6.7

Parameter Value

Molecular weight (g/mol) 238.29

log P 2.45

pK a 11.83

Human jejunal permeability (cm/s) 4.3 × 10 −4

Dose (mg) 400

Dose volume (mL) 250

Solubility in water (mg/mL) 0.12

Mean precipitation time (s) 900

Diffusion coeffi cient (cm 2 /s) 0.869 × 10 −5

Drug particle density (g/mL) 1.2

Effective particle radius (μm) 25

Body weight (kg) 72

Unbound percent in plasma (%) 30

CL (L/h/kg) 0.024

V c (L/kg) 1.26

t 1/2 (h) 36.39

Simulation time (h) 120

Dosage form IR tablet

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Comparison of PK parameters between simulated
and in vivo observed data for CBZ following oral
administration of a single 400 mg dose from IR tablet
in fasted state

Table 6.8

Parameter Zhang et al. (2011) Kovacevic et al. (2009)

Observed Predicted % PE Observed Predicted % PE

C max (μg/mL) 3.61 3.71 −2.77 3.78 3.76 0.53

t max (h) 24.00 16.00 33.33 6.00 7.00 −16.67

AUC 0 → ∞ (μg h/mL) 298.60 330.00 −10.52 229.10 226.90 0.96

AUC 0 → t (μg h/mL) 279.80 301.60 −7.79 224.60 201.20 10.42