Basic Information
| Drug ID | DDPD04911 |
|
| Drug Name | Oritavancin | |
| Molecular Weight | 1793.101 | |
| Molecular Formula | C86H97Cl3N10O26 | |
| CAS Number | 171099-57-3 | |
| SMILES | CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)C2=CC=C(OC3=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@H]4C[C@](C)(NCC5=CC=C(C=C5)C5=CC=C(Cl)C=C5)[C@@H](O)[C@H](C)O4)C4=CC(=C3)[C@@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N[C@@H]1C3=CC(=C(O)C=C3)C3=C(O)C=C(O)C=C3[C@H](NC(=O)[C@@H](NC1=O)[C@H](O[C@H]1C[C@](C)(N)[C@@H](O)[C@H](C)O1)C1=CC(Cl)=C(O4)C=C1)C(O)=O)C(Cl)=C2 | |
| External Links | ||
| DRUGBANK | DB04911 | |
| PubChem Compound | 16136912 | |
| PDR | 3606 | |
Experimental Physicochemical Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Reference |
|---|---|---|---|---|---|
| Log P | 4.1 | - | 4.1 | - | PMID: 18375379 |
| Boiling Point | 810.3 | ℃ | 810.3 | ℃ | http://www.demechem.com/English/productshow.asp?id=49 |
| Water Solubility | 10000.0 | mg/L | 10 | mg/ml | https://www.sigmaaldrich.com/catalog/product/sigma/sml1586?lang=fr®ion=CA |
| pKa | 2.93 | - | 2.93±0.7 | - | https://www.chemicalbook.com/ChemicalProductProperty_EN_CB92451283.htm |
Pharmacokinetic/ Toxicokinetic Property
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Reference |
|---|---|---|---|---|---|---|
| AUC | 2800000.0 | ng.h/ml | 2800.0 | ug.h/ml | DRUGBANK | AUC | 11111000.0 | ng.h/ml | 11111.0 | ug.h/ml | normal,healthy; | DRUGBANK |
| C Max | 138000.0 | ng/ml | 138 | ug/ml | DRUGBANK | C Max | 6150.0 | ng/ml | 4.7-7.6 | mcg/ml | different study; | DRUGBANK |
| T Max | 24.0 | h | 24 | h | different study; | DRUGBANK |
| Metabolic | 0 | % | 0 | % | DRUGBANK | |
| Clearance | 0.45 | L/h | 0.445 | L/h | DRUGBANK | Clearance | 0.0274 | L/h | 0.457 | ml/min | Renal clearance; | DRUGBANK | Clearance | 0.004200 | L/h/kg | 0.07 | ml/min/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Volume of Distribution | 87.6 | L | 87.6 | L | DRUGBANK | Volume of Distribution | 0.30 | L/kg | 0.3 | L/kg | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Half-life | 245.0 | h | ~245 | h | terminal half-life; | DRUGBANK | Half-life | 96.2 | h | 96.2 | h | intravenous injection, IV; human, homo sapiens; | Human Intravenous Pharmacokinetic Dataset |
| Toxicity LD50 | 500.0 | mg/kg | >500 | mg/kg | Rattus, Rat; | DRUGBANK |
| Protein Binding | 85.0 | % | ~85 | % | plasma proteins; | DRUGBANK |
Maximum Dosage
| Property Name | Property Value | Unit | Raw Value | Raw Unit | Annotation | Brand Name | Component | Reference |
|---|---|---|---|---|---|---|---|---|
| Max dose for adults | 1200.0 | mg | 1200 | mg | intravenous injection, IV | Orbactiv | oritavancin | PDR |
| Max dose for geriatric | 1200.0 | mg | 1200 | mg | intravenous injection, IV | Orbactiv | oritavancin | 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