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

Basic Information

Drug ID DDPD00437 ...
Drug Name Allopurinol
Molecular Weight 136.1115
Molecular Formula C5H4N4O
CAS Number 315-30-0
SMILES OC1=NC=NC2=C1C=NN2
External Links
DRUGBANK DB00437
T3DB T3D3477
PubChem Compound 2094
PDR 816
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P -1.8 - -1.8 - http://www.t3db.ca/toxins/T3D3477
Boiling Point 250.36 ℃ 250.36 ℃ https://www.chemicalbook.com/ChemicalProductProperty_US_CB1181254.aspx
Melting Point 300.0 ℃ >300 ℃ https://www.chemicalbook.com/ChemicalProductProperty_US_CB1181254.aspx
Water Solubility 800.0 mg/L 80 mg/dl FDA label
pKa 10.2 - 10.2 - https://www.chemicalbook.com/ChemicalProductProperty_US_CB1181254.aspx
Log S -1.4 - -1.4 - http://www.t3db.ca/toxins/T3D3477

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Absorption 90.0 % 90.0 % DRUGBANK
Bioavailability 53.0 % 53±13 % The Pharmacological Basis of Therapeutics
C Max 3000.0 ng/ml 3.0 mcg/ml PO, oral; DRUGBANK
C Max 1400.0 ng/ml 1.4±0.5 mcg/ml Oral single dose; The Pharmacological Basis of Therapeutics
C Max 6400.0 ng/ml 6.4±0.8 mcg/ml Oral single dose; Active metabolite; The Pharmacological Basis of Therapeutics
T Max 3.0 h 1.5-4.5 h DRUGBANK
T Max 1.7 h 1.7±1.0 h Oral single dose; The Pharmacological Basis of Therapeutics
T Max 4.1 h 4.1±1.4 h Oral single dose; Active metabolite; The Pharmacological Basis of Therapeutics
Clearance 0.59 L/h/kg 9.9±2.4 ml/min/kg normal,healthy; Male, men;  Female, women; Elderly ↑ ;RD, renal impairment, Renal disease，including uremia ↑ ; The Pharmacological Basis of Therapeutics
Clearance 0.66 L/h/kg 11 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 0.87 L/kg 0.87±0.13 L/kg normal,healthy; Male, men;  Female, women; The Pharmacological Basis of Therapeutics
Volume of Distribution 0.58 L/kg 0.58 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 1.5 h 1-2 h elimination half-life; DRUGBANK
Half-life 1.2 h 1.2±0.3 h normal,healthy; The Pharmacological Basis of Therapeutics
Half-life 24.0 h 24±4.5 h normal,healthy; The Pharmacological Basis of Therapeutics
Half-life 0.80 h 0.8 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 78.0 mg/kg 78.0 mg/kg PO, oral; mouse; DRUGBANK
Toxicity LD50 214.0 mg/kg 214.0 mg/kg mouse; T3DB
Toxicity TDLo 10.0 mg/kg 10.0 mg/kg PO, oral; Rattus, Rat; DRUGBANK
Toxicity TDLo 100.0 mg/kg 100.0 mg/kg PO, oral; mouse; DRUGBANK
Eliminate Route 80.0 % ~80 % Urinary excretion; PO, oral; DRUGBANK
Eliminate Route 20.0 % ~20 % Faeces excretion; PO, oral; DRUGBANK
Eliminate Route 12.0 % 12 % Urinary excretion; normal,healthy; human, homo sapiens; Unchanged drug; The Pharmacological Basis of Therapeutics

Maximum Dosage

Property Name Property Value Unit Raw Value Raw Unit Annotation Brand Name Component Reference
Max dose for children 800.0 mg/day 800 mg/day PO, oral Zyloprim allopurinol PDR
Max dose for children 300.0 mg/dose 300 mg/dose PO, oral Zyloprim allopurinol PDR
Max dose for children 300.0 mg/day 300 mg/day PO, oral Zyloprim allopurinol PDR
Max dose for children 150.0 mg/day 150 mg/day PO, oral Zyloprim allopurinol PDR
Max dose for adults 800.0 mg/day 800 mg/day PO, oral Zyloprim allopurinol PDR
Max dose for adults 600.0 mg/day 600 mg/day intravenous injection, IV Zyloprim allopurinol PDR
Max dose for adults 300.0 mg/dose 300 mg/dose PO, oral Zyloprim allopurinol 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