Basic Information
| Drug ID | DDPD00548 |
|
| Drug Name | Azelaic acid | |
| Molecular Weight | 188.2209 | |
| Molecular Formula | C9H16O4 | |
| CAS Number | 123-99-9 | |
| SMILES | OC(=O)CCCCCCCC(O)=O | |
| External Links | ||
| DRUGBANK | DB00548 | |
| T3DB | T3D4799 | |
| PubChem Compound | 2266 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 1.57 | - | 1.57 | - | HANSCH,C ET AL. (1995) |
| Boiling Point | 286.5 | ℃ | 286.5 | ℃ | PhysProp |
| Melting Point | 106.5 | ℃ | 106.5 | ℃ | PhysProp |
| Water Solubility | 2400.0 | mg/L | 2400 | mg/L | YALKOWSKY,SH & DANNENFELSER,RM 1992) |
| pKa | 4.55 | - | 4.55 | - | KORTUM,G ET AL (1961) |
| Log S | -1.89 | - | -1.89 | - | ADME Research, USCD |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Absorption | 4.0 | % | 4 | % | DRUGBANK | |
| Half-life | 0.75 | h | ~45 | min | PO, oral; normal,healthy; | DRUGBANK | Half-life | 12.0 | h | 12 | h | skin/dermal; normal,healthy; | DRUGBANK |
| Toxicity LD50 | 5000.0 | mg/kg | >5 | g/kg | PO, oral; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 5000.0 | mg/kg | >5 | g/kg | PO, oral; Rattus, Rat; | T3DB |
Maximum Dosage
Not Available
Drug Property Radar Chart
Note: Center: Q1-1.5*IQR, Edge: Q3+1.5*IQR; Q1: Quantile 1, Q3: Quantile 3, IQR: Q3-Q1