Basic Information Experimental Physicochemical Property Pharmacokinetic/Toxicokinetic Property Maximum Dosage Drug Property Radar Chart

Basic Information

Drug ID DDPD00196 ...
Drug Name Fluconazole
Molecular Weight 306.2708
Molecular Formula C13H12F2N6O
CAS Number 86386-73-4
SMILES OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
External Links
DRUGBANK DB00196
T3DB T3D2711
PubChem Compound 3365
PDR 1847
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 0.5 - 0.5 - https://www.pfizer.ca/sites/g/files/g10050796/f/201806/Diflucan_PM_E_207077_12June2018.pdf
Boiling Point 579.8 ℃ 579.8 ℃ https://www.lookchem.com/Fluconazole/
Melting Point 139.0 ℃ 138-140 ℃ http://www.chemspider.com/Chemical-Structure.3248.html
pKa 1.76 - 1.76 - https://www.pfizer.ca/sites/g/files/g10017036/f/201410/DIFLUCAN(2).pdf

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
AUC 20.3 null 20.3 null PO, oral; normal,healthy; DRUGBANK
Bioavailability 90.0 % >90 % PO, oral; food; food → ; DRUGBANK
Bioavailability 90.0 % >90 % intravenous injection, IV; DRUGBANK
Bioavailability 90.0 % >90 % PO, oral; The Pharmacological Basis of Therapeutics
C Max 10600.0 ng/ml 10.6±0.4 mcg/ml PO, oral; adults; normal,healthy; The Pharmacological Basis of Therapeutics
T Max 3.0 h 3 h PO, oral; patients; DRUGBANK
T Max 1.5 h 1-2 h PO, oral; normal,healthy; DRUGBANK
T Max 3.0 h 1.7-4.3 h PO, oral; adults; normal,healthy; The Pharmacological Basis of Therapeutics
Tss 180.0 h 5-10 day Oral multiple dose; DRUGBANK
Metabolic 6.5 % 6.5 % Urinary excretion; DRUGBANK
Metabolic 2.0 % 2 % Urinary excretion; DRUGBANK
Clearance 0.0138 L/h/kg 0.23 ml/min/kg Average clearance; adults; DRUGBANK
Clearance 1.2 L/h 19.5±4.7 ml/min Total clearance; normal,healthy; DRUGBANK
Clearance 0.88 L/h 14.7±3.7 ml/min Renal clearance; normal,healthy; DRUGBANK
Clearance 0.0162 L/h/kg 0.27±0.07 ml/min/kg Neonates → ;Prem, premature ↓ ;RD, renal impairment, Renal disease，including uremia ↓ ;AIDS,HIV → ; The Pharmacological Basis of Therapeutics
Clearance 0.0186 L/h/kg 0.31 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 39.0 L 39.0 L Apparent volume of distribution; DRUGBANK
Volume of Distribution 0.60 L/kg 0.60±0.11 L/kg Neonates ↑ ;Prem, premature ↑ ;RD, renal impairment, Renal disease，including uremia → ; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.75 L/kg 0.75 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 30.0 h ~30(20-50) h elimination half-life; PO, oral; RD, renal impairment, Renal disease，including uremia ↑ ; DRUGBANK
Half-life 32.0 h 32±5 h Prem, premature ↑ ;Children ↓ ;Hepatic cirrhosis, cirr ↑ ;RD, renal impairment, Renal disease，including uremia ↑ ; The Pharmacological Basis of Therapeutics
Half-life 30.0 h 30 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 1271.0 mg/kg 1271.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Eliminate Route 93.3 % 93.3 % Urinary excretion; DRUGBANK
Eliminate Route 80.0 % ~80 % Urinary excretion; normal,healthy; human, homo sapiens; Unchanged drug; DRUGBANK
Eliminate Route 75.0 % 75±9 % Urinary excretion; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 11.5 % 11-12 % DRUGBANK
Protein Binding 11.0 % 11±1 % The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for neonates 12.0 mg/kg/day 12 mg/kg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for infants 12.0 mg/kg/day 12 mg/kg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for children 12.0 mg/kg/day 12 mg/kg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for children 600.0 mg/day 600 mg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for adolescents 400.0 mg/day 400 mg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for adolescents 12.0 mg/kg/day 12 mg/kg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for adolescents 800.0 mg/day 800 mg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for adults 400.0 mg/day 400 mg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for adults 12.0 mg/kg/day 12 mg/kg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for adults 800.0 mg/day 800 mg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for elderly 400.0 mg/day 400 mg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for elderly 12.0 mg/kg/day 12 mg/kg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR
Max dose for elderly 800.0 mg/day 800 mg/day PO, oral;intravenous injection, IV; Diflucan fluconazole PDR

Drug Property Radar Chart

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Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1