HuagongsheHuagongshe Chemistry Print Report · For research reference only
28-Oxo Ivermectin B1a (Impurity)
Ivermectin imp D · Ivermectin Impurity D · Ivermectin impurity 5 · 28-Oxo Ivermectin B1a · Ivermectin impurity 4 · Ivermectin EP Impurity2 · Ivermectin EP impurity D · Ivermectin Impurity D(EP)
Identifiers & Physical Properties
| CAS No. | 102190-55-6 |
|---|---|
| Molecular formula | C48H72O15 |
| Average molar mass | 889.1 g/mol |
| SMILES | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\C(=O)O[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |
| InChIKey | SOVJPRRDKZIUGJ-NZWFHOADSA-N |
| PubChem CID | 131864858 |
Chemical & Physical Properties
| XLogP | 4.5 |
|---|---|
| Topological polar surface area | 187 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 15 |
| Rotatable bonds | 8 |
| Heavy atoms | 63 |
| Formal charge | 0 |
| Complexity | 1,760 |
| Boiling point | 980.7±65.0 °C(Predicted) |
| Density | 1.26±0.1 g/cm3(Predicted) |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 10.85±0.70(Predicted) |
| Color | White to Off-White |
| Stability | Hygroscopic |
| FDA UNII | HA5BEU9C22 |
Applications & Uses
Uses
28-Oxo Ivermectin B1a is an impurity of Ivermectin (I940800), an antiparasitic drug that is active against a wide variety of nematode and arthropod parasites and is used to treat scabies and lice in humans. An invitro inhibitor of SARS-CoV-2/ Covid-19.