Basic Information
| Drug ID | DDPD01065 |
|
| Drug Name | Melatonin | |
| Molecular Weight | 232.2783 | |
| Molecular Formula | C13H16N2O2 | |
| CAS Number | 73-31-4 | |
| SMILES | COC1=CC=C2NC=C(CCNC(C)=O)C2=C1 | |
| External Links | ||
| DRUGBANK | DB01065 | |
| T3DB | T3D2972 | |
| PubChem Compound | 896 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 1.6 | - | 1.6 | - | DRUGBANK |
| Melting Point | 117.0 | ℃ | 117 | ℃ | PhysProp |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Clearance | 0.99 | L/h/kg | 16.5 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 1.1 | L/kg | 1.1 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 0.71 | h | 35-50 | min | DRUGBANK | Half-life | 1.1 | h | 1.1 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 3200.0 | mg/kg | >3200 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK | Toxicity LD50 | 3200.0 | mg/kg | 3200.0 | mg/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