Basic Information
| Drug ID | DDPD01396 |
|
| Drug Name | Digitoxin | |
| Molecular Weight | 764.9391 | |
| Molecular Formula | C41H64O13 | |
| CAS Number | 71-63-6 | |
| SMILES | [H][C@@]1(CC[C@]2(O)[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1)C1=CC(=O)OC1 | |
| External Links | ||
| DRUGBANK | DB01396 | |
| T3DB | T3D4021 | |
| PubChem Compound | 441207 | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 1.85 | - | 1.85 | - | SANGSTER (1993) |
| Melting Point | 255.5 | ℃ | 255.5 | ℃ | PhysProp |
| Water Solubility | 3.9 | mg/L | 3.9 | mg/L | YALKOWSKY,SH & DANNENFELSER,RM 1992) |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Clearance | 0.002580 | L/h/kg | 0.043 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 0.44 | L/kg | 0.44 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 180.0 | h | 180 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
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