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

Basic Information

Drug ID DDPD00945 ...
Drug Name Acetylsalicylic acid
Molecular Weight 180.1574
Molecular Formula C9H8O4
CAS Number 50-78-2
SMILES CC(=O)OC1=CC=CC=C1C(O)=O
External Links
DRUGBANK DB00945
T3DB T3D2936
PubChem Compound 2244
Drugs.com Drugs.com Drug Page

Experimental Physicochemical Property

Property Name Property Value Unit Raw Value Raw Unit Reference
Log P 1.18 - 1.18 - https://www.fip.org/files/fip/BPS/BCS/Monographs/AcetylsalicylicAcid.pdf
Boiling Point 140.0 ℃ 140 ℃ http://www.chemicalland21.com/lifescience/phar/ACETYLSALICYLIC%20ACID.htm
Melting Point 139.0 ℃ 138-140 ℃ http://www.rsc.org/learn-chemistry/content/filerepository/CMP/00/000/045/Aspirin.pdf
Water Solubility 10000.0 mg/L 10 mg/ml https://www.sigmaaldrich.com/catalog/product/sigma/a5376?lang=en&region=US
pKa 3.5 - 3.5 - https://www.fip.org/files/fip/BPS/BCS/Monographs/AcetylsalicylicAcid.pdf

Pharmacokinetic/ Toxicokinetic Property

Property Name Property Value Unit Raw Value Raw Unit Annotation Factor Reference
Absorption 100.0 % 100 % PO, oral; DRUGBANK
Bioavailability 68.0 % 68±3 % The Pharmacological Basis of Therapeutics
C Max 24000.0 ng/ml 24±4 mcg/ml Oral single dose; The Pharmacological Basis of Therapeutics
T Max 1.5 h 1-2 h PO, oral; DRUGBANK
T Max 0.39 h 0.39±0.21 h Oral single dose; The Pharmacological Basis of Therapeutics
Clearance 0.56 L/h/kg 9.3±1.1 ml/min/kg Elderly → ;Hepatitis, Hep → ; The Pharmacological Basis of Therapeutics
Clearance 0.72 L/h/kg 12 ml/min/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Volume of Distribution 0.15 L/kg 0.15±0.03 L/kg The Pharmacological Basis of Therapeutics
Volume of Distribution 0.22 L/kg 0.22 L/kg intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Half-life 0.27 h 13-19 min DRUGBANK
Half-life 4.0 h 3.5-4.5 h DRUGBANK
Half-life 0.25 h 0.25±0.03 h Hepatitis, Hep → ; The Pharmacological Basis of Therapeutics
Half-life 0.26 h 0.26 h intravenous injection, IV; human, homo sapiens; Human Intravenous Pharmacokinetic Dataset
Toxicity LD50 1000.0 mg/kg >1 g/kg PO, oral; human, homo sapiens; cat; dog; DRUGBANK
Toxicity LD50 1200.0 mg/kg 0.92-1.48 g/kg PO, oral; albino; Rattus, Rat; DRUGBANK
Toxicity LD50 1190.0 mg/kg 1.19 g/kg PO, oral; guinea pigs; DRUGBANK
Toxicity LD50 1100.0 mg/kg 1.1 g/kg PO, oral; mouse; DRUGBANK
Toxicity LD50 1800.0 mg/kg 1.8 g/kg PO, oral; dog; DRUGBANK
Toxicity LD50 250.0 mg/kg 250.0 mg/kg PO, oral; mouse; T3DB
Toxicity LD50 1010.0 mg/kg 1010.0 mg/kg PO, oral; rabbit; T3DB
Toxicity LD50 200.0 mg/kg 200.0 mg/kg PO, oral; Rattus, Rat; T3DB
Eliminate Route 1.4 % 1.4±1.2 % Urinary excretion; Unchanged drug; Unchanged drug; The Pharmacological Basis of Therapeutics
Protein Binding 70.0 % 50-90 % plasma proteins; DRUGBANK
Protein Binding 49.0 % 49 % Unchanged drug; RD, renal impairment, Renal disease，including uremia ↓ ; The Pharmacological Basis of Therapeutics

Maximum Dosage

Not Available

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