Basic Information
| Drug ID | DDPD00294 |
|
| Drug Name | Etonogestrel | |
| Molecular Weight | 324.4565 | |
| Molecular Formula | C22H28O2 | |
| CAS Number | 54048-10-1 | |
| SMILES | [H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] | |
| External Links | ||
| DRUGBANK | DB00294 | |
| PubChem Compound | 6917715 | |
| PDR | 1502 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 3.32 | - | 3.32 | - | Zaragoza F. Lead optimization for medicinal chemists. 2012. Wiley |
| Boiling Point | 473.1 | ℃ | 473.1 | ℃ | 'MSDS' |
| Melting Point | 198.0 | ℃ | 196-200 | ℃ | 'MSDS' |
| pKa | 10.4 | - | 10.4 | - | Toral M. et al. J. Chil. Chem. 2013 |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Bioavailability | 82.0 | % | 82.0 | % | subcutaneous injection, SC; | DRUGBANK |
| Clearance | 7.5 | L/h | 7.5 | L/h | DRUGBANK | Clearance | 0.12 | L/h/kg | 2 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 201.0 | L | 201.0 | L | Apparent volume of distribution; | DRUGBANK | Volume of Distribution | 2.9 | L/kg | 2.87 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 25.0 | h | 25 | h | elimination half-life; | DRUGBANK | Half-life | 25.0 | h | 25 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 2000.0 | mg/kg | >2000 | mg/kg | PO, oral; Rattus, Rat; | DRUGBANK |
| Protein Binding | 97.5 | % | 96-99 | % | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for adolescents | 68.0 | mg/dose | 68 | mg/dose | subdermal implant; every 3 years | Nexplanon | etonogestrel | PDR |
| Max dose for adults | 68.0 | mg/dose | 68 | mg/dose | subdermal implant; every 3 years | Nexplanon | etonogestrel | 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