Basic Information
| Drug ID | DDPD01050 |
|
| Drug Name | Ibuprofen | |
| Molecular Weight | 206.2808 | |
| Molecular Formula | C13H18O2 | |
| CAS Number | 15687-27-1 | |
| SMILES | CC(C)CC1=CC=C(C=C1)C(C)C(O)=O | |
| External Links | ||
| DRUGBANK | DB01050 | |
| T3DB | T3D2970 | |
| PubChem Compound | 3672 | |
| PDR | 130 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Caco-2 Permeability | -4.28 | - | -4.28 | - | ADME Research, USCD |
| Log P | 3.97 | - | 3.97 | - | AVDEEF,A (1997) |
| Boiling Point | 157.0 | ℃ | 157 | ℃ | 'AlfaAesar MSDS' |
| Melting Point | 76.25 | ℃ | 75-77.5 | ℃ | U.S. Patent 3,228,831 U.S. Patent 3,385,886 |
| Water Solubility | 21.0 | mg/L | 21 | mg/L | YALKOWSKY,SH & DANNENFELSER,RM 1992) |
| pKa | 5.3 | - | 5.3 | - | Bushra and Aslam. Oman Med. 25, 3. (2010) |
| Log S | -3.99 | - | -3.99 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Factor | Reference |
|---|---|---|---|---|---|---|---|
| AUC | 70000.0 | ng.h/ml | 70.0 | mcg.h/ml | PO, oral; | DRUGBANK | |
| Bioavailability | 80.0 | % | >80 | % | PO, oral; | The Pharmacological Basis of Therapeutics | |
| C Max | 20000.0 | ng | 20 | mcg | PO, oral; | DRUGBANK | C Max | 61100.0 | ng/ml | 61.1±5.5 | mcg/ml | Oral single dose; Raceme D/L; | The Pharmacological Basis of Therapeutics |
| T Max | 1.5 | h | 1-2 | h | intranasal; | DRUGBANK | T Max | 2.0 | h | 2 | h | PO, oral; | DRUGBANK | T Max | 1.6 | h | 1.6±0.3 | h | Oral single dose; Raceme D/L; | The Pharmacological Basis of Therapeutics |
| Clearance | 8.0 | L/h | 3.0-13 | L/h | DRUGBANK | Clearance | 0.0450 | L/h/kg | 0.75±0.20 | ml/min/kg | apparent clearance; | Children → ;rheumatoid arthritis → ;Cystic fibrosis ↑ ; | The Pharmacological Basis of Therapeutics | Clearance | 0.0492 | L/h/kg | 0.82 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 0.10 | L/kg | 0.1 | L/kg | Apparent volume of distribution; | DRUGBANK | Volume of Distribution | 0.15 | L/kg | 0.15±0.02 | L/kg | Apparent volume of distribution; | Cystic fibrosis ↑ ; | The Pharmacological Basis of Therapeutics | Volume of Distribution | 0.15 | L/kg | 0.15 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 1.6 | h | 1.2-2 | h | elimination half-life; | DRUGBANK | Half-life | 3.3 | h | 3.1-3.4 | h | hepatopathy，LD; | DRUGBANK | Half-life | 2.0 | h | 2±0.5 | h | Children → ;rheumatoid arthritis → ;Hepatic cirrhosis, cirr ↑ ; | The Pharmacological Basis of Therapeutics | Half-life | 1.6 | h | 1.6 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 636.0 | mg/kg | 636.0 | mg/kg | Rattus, Rat; | DRUGBANK | Toxicity LD50 | 740.0 | mg/kg | 740.0 | mg/kg | mouse; | DRUGBANK | Toxicity LD50 | 495.0 | mg/kg | 495.0 | mg/kg | guinea pigs; | DRUGBANK | Toxicity LD50 | 1255.0 | mg/kg | 1255.0 | mg/kg | PO, oral; mouse; | T3DB |
| Eliminate Route | 90.0 | % | >90 | % | Urinary excretion; RD, renal impairment, Renal disease，including uremia; Elderly; | DRUGBANK | Eliminate Route | 1.0 | % | <1 | % | Bile excretion; RD, renal impairment, Renal disease，including uremia; Elderly; Unchanged drug; | DRUGBANK | Eliminate Route | 1.0 | % | <1 | % | Urinary excretion; Unchanged drug; | The Pharmacological Basis of Therapeutics |
| Protein Binding | 99.0 | % | >99 | % | plasma proteins; | DRUGBANK | Protein Binding | 99.0 | % | >99 | % | rheumatoid arthritis → ;hypoalbuminemia Alb → ; | The Pharmacological Basis of Therapeutics |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for infants | 40.0 | mg/kg/day | 40 | mg/kg/day | PO, oral;intravenous injection, IV; | Caldolor | ibuprofen | PDR |
| Max dose for children | 50.0 | mg/kg/day | 50 | mg/kg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for children | 3200.0 | mg/day | 3200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for children | 2400.0 | mg/day | 2400 | mg/day | intravenous injection, IV | Caldolor | ibuprofen | PDR |
| Max dose for children | 40.0 | mg/kg/day | 40 | mg/kg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for children | 1200.0 | mg/day | 1200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for children | 50.0 | mg/kg/day | 50 | mg/kg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for children | 3200.0 | mg/day | 3200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for children | 40.0 | mg/kg/day | 40 | mg/kg/day | intravenous injection, IV | Caldolor | ibuprofen | PDR |
| Max dose for children | 2400.0 | mg/day | 2400 | mg/day | intravenous injection, IV | Caldolor | ibuprofen | PDR |
| Max dose for children | 40.0 | mg/kg/day | 40 | mg/kg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for children | 1200.0 | mg/day | 1200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for adolescents | 3200.0 | mg/day | 3200 | mg/day | PO, oral;intravenous injection, IV; | Caldolor | ibuprofen | PDR |
| Max dose for adolescents | 1200.0 | mg/day | 1200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for adolescents | 50.0 | mg/kg/day | 50 | mg/kg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for adolescents | 3200.0 | mg/day | 3200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for adolescents | 2400.0 | mg/day | 2400 | mg/day | intravenous injection, IV | Caldolor | ibuprofen | PDR |
| Max dose for adolescents | 1200.0 | mg/day | 1200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for adults | 3200.0 | mg/day | 3200 | mg/day | PO, oral;intravenous injection, IV; | Caldolor | ibuprofen | PDR |
| Max dose for adults | 1200.0 | mg/day | 1200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for geriatric | 3200.0 | mg/day | 3200 | mg/day | PO, oral;intravenous injection, IV; | Caldolor | ibuprofen | PDR |
| Max dose for geriatric | 1200.0 | mg/day | 1200 | mg/day | PO, oral | Caldolor | ibuprofen | PDR |
| Max dose for neonates | 10.0 | mg/kg/day | 10 | mg/kg/day | intravenous injection, IV | NeoProfen | ibuprofen lysine | PDR |
| Max dose for adults | 180.0 | mg/day | 180 | mg/day | PO, oral | Zohydro ER | hydrocodone bitartrate | PDR |
| Max dose for geriatric | 180.0 | mg/day | 180 | mg/day | PO, oral | Zohydro ER | hydrocodone bitartrate | PDR |
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1