Basic Information
| Drug ID | DDPD00559 |
|
| Drug Name | Bosentan | |
| Molecular Weight | 551.614 | |
| Molecular Formula | C27H29N5O6S | |
| CAS Number | 147536-97-8 | |
| SMILES | COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1 | |
| External Links | ||
| DRUGBANK | DB00559 | |
| PubChem Compound | 104865 | |
| PDR | 2062 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Caco-2 Permeability | -5.98 | - | -5.98 | - | ADME Research, USCD |
| Log P | 3.7 | - | 3.7 | - | DRUGBANK |
| Water Solubility | 1.0 | mg/L | 0.1,0.2,43 | mg/100ml | DRUGBANK | Water Solubility | 2.0 | mg/L | 0.1,0.2,43 | mg/100ml | DRUGBANK | Water Solubility | 430.0 | mg/L | 0.1,0.2,43 | mg/100ml | DRUGBANK |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Factor | Reference |
|---|---|---|---|---|---|---|---|
| Bioavailability | 50.0 | % | ~50 | % | PO, oral; food; | food → ; | DRUGBANK |
| Clearance | 4.0 | L/h | 4.0 | L/h | pulmonary arterial hypertension; patients; | DRUGBANK | Clearance | 0.13 | L/h/kg | 2.1 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 18.0 | L | 18.0 | L | DRUGBANK | Volume of Distribution | 0.29 | L/kg | 0.29 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 5.0 | h | ~5 | h | elimination half-life; normal,healthy; adults; | DRUGBANK | Half-life | 4.1 | h | 4.1 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Protein Binding | 98.0 | % | >98 | % | plasma proteins; | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for neonates | 2.0 | mg/kg/day | 2 | mg/kg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for infants | 62.5 | mg/day | 62.5 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for infants | 4.0 | mg/kg/day | 4 | mg/kg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for infants | 31.25 | mg/day | 31.25 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for children | 128.0 | mg/day | 128 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for children | 96.0 | mg/day | 96 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for children | 64.0 | mg/day | 64 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for children | 32.0 | mg/day | 32 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for children | 62.5 | mg/day | 62.5 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for children | 4.0 | mg/kg/day | 4 | mg/kg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for children | 31.25 | mg/day | 31.25 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for adolescents | 250.0 | mg/day | 250 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for adolescents | 125.0 | mg/day | 125 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for adults | 250.0 | mg/day | 250 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for adults | 125.0 | mg/day | 125 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for geriatric | 250.0 | mg/day | 250 | mg/day | PO, oral | Tracleer | bosentan | PDR |
| Max dose for geriatric | 125.0 | mg/day | 125 | mg/day | PO, oral | Tracleer | bosentan | 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