Basic Information
| Drug ID | DDPD00861 |
|
| Drug Name | Diflunisal | |
| Molecular Weight | 250.1976 | |
| Molecular Formula | C13H8F2O3 | |
| CAS Number | 22494-42-4 | |
| SMILES | OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1 | |
| External Links | ||
| DRUGBANK | DB00861 | |
| T3DB | T3D2918 | |
| PubChem Compound | 3059 | |
| PDR | 723 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 4.44 | - | 4.44 | - | SANGSTER (1993) |
| Melting Point | 210.5 | ℃ | 210-211 | ℃ | Ruyle, W.V., Jarett, L.H. and Matzuk, A.R. ; U S . Patent 3,714,226; January 30, 1973; assigned to Merck & Co., Inc. |
| Water Solubility | 14.5 | mg/L | 14.5 | mg/L | DRUGBANK |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Absorption | 100.0 | % | 100 | % | PO, oral; | DRUGBANK |
| Bioavailability | 85.0 | % | 80-90 | % | PO, oral; | DRUGBANK |
| T Max | 2.5 | h | 2-3 | h | PO, oral; | DRUGBANK |
| Metabolic | 90.0 | % | 90 | % | Liver metabolism; | DRUGBANK |
| Clearance | 0.006000 | L/h/kg | 0.1 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 0.0970 | L/kg | 0.097 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 10.0 | h | 8-12 | h | DRUGBANK | Half-life | 10.0 | h | 10 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 392.0 | mg/kg | 392.0 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 439.0 | mg/kg | 439.0 | mg/kg | PO, oral; mouse; | DRUGBANK | Toxicity LD50 | 603.0 | mg/kg | 603.0 | mg/kg | PO, oral; rabbit; | DRUGBANK | Toxicity LD50 | 392.0 | mg/kg | 392.0 | mg/kg | PO, oral; Rattus, Rat; | T3DB | Toxicity LD50 | 439.0 | mg/kg | 439.0 | mg/kg | PO, oral; mouse; | T3DB | Toxicity LD50 | 603.0 | mg/kg | 603.0 | mg/kg | PO, oral; rabbit; | T3DB |
| Toxicity Lethal Dose | 15000.0 | mg | 15.0 | g | T3DB | |
| Eliminate Route | 90.0 | % | ~90 | % | Urinary excretion; | DRUGBANK |
| Protein Binding | 98.5 | % | 98-99 | % | plasma proteins; | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for adolescents | 1500.0 | mg/day | 1500 | mg/day | PO, oral | Diflunisal Tablets | diflunisal | PDR |
| Max dose for adults | 1500.0 | mg/day | 1500 | mg/day | PO, oral | Diflunisal Tablets | diflunisal | PDR |
| Max dose for elderly | 1500.0 | mg/day | 1500 | mg/day | PO, oral | Diflunisal Tablets | diflunisal | 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