Basic Information
| Drug ID | DDPD00696 |
|
| Drug Name | Ergotamine | |
| Molecular Weight | 581.6615 | |
| Molecular Formula | C33H35N5O5 | |
| CAS Number | 113-15-5 | |
| SMILES | [H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)C4=C3)O[C@@]21O | |
| External Links | ||
| DRUGBANK | DB00696 | |
| T3DB | T3D2460 | |
| PubChem Compound | 8223 | |
| PDR | 2888 | |
| Drugs.com | Drugs.com Drug Page | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 2.0 | - | 2.0 | - | DRUGBANK |
| Melting Point | 213.5 | ℃ | 213.5 | ℃ | PhysProp |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| Metabolic | 90.0 | % | 90 | % | Bile excretion; | DRUGBANK |
| Clearance | 0.90 | L/h/kg | 15 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 3.6 | L/kg | 3.6 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 2.0 | h | 2 | h | DRUGBANK | Half-life | 2.1 | h | 2.1 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 62.0 | mg/kg | 62.0 | mg/kg | intravenous injection, IV; Rattus, Rat; | T3DB |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for children | 3.0 | mg/day | 3 | mg/day | sublingual | Ergomar | ergotamine tartrate | PDR |
| Max dose for adolescents | 3.0 | mg/day | 3 | mg/day | sublingual | Ergomar | ergotamine tartrate | PDR |
| Max dose for adults | 6.0 | mg/day | 6 | mg/day | sublingual | Ergomar | ergotamine tartrate | PDR |
| Max dose for adults | 1.42857142857143 | mg/day | 10 | mg/week | sublingual | Ergomar | ergotamine tartrate | PDR |
| Max dose for elderly | 6.0 | mg/day | 6 | mg/day | sublingual | Ergomar | ergotamine tartrate | PDR |
| Max dose for elderly | 1.42857142857143 | mg/day | 10 | mg/week | sublingual | Ergomar | ergotamine tartrate | 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