HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,4-Dihydro Ivermectin
Ivermectin Impurity K · H4B1a isomers · Ivermectin imp K · Ivermectin impurity · Ivermectin impurity 12 · 3,4-Dihydro IverMectin · Ivermectin EP Impurity6 · 5-O-Demethyl-3,4,22,23-tetrahydro-avermectin A1a
Identifiers & Physical Properties
| CAS No. | 74567-01-4 |
|---|---|
| Molecular formula | C48H76O14 |
| Average molar mass | 877.1 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\CO[C@@H]4[C@H](O)C(C)C[C@@H](C(=O)O1)[C@]34O)O2 |
| InChIKey | ACNNVMSFKOFXPD-LMGLRRKJSA-N |
| PubChem CID | 131884468 |
Chemical & Physical Properties
| XLogP | 4.8 |
|---|---|
| Topological polar surface area | 170 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 14 |
| Rotatable bonds | 8 |
| Heavy atoms | 62 |
| Formal charge | 0 |
| Complexity | 1,620 |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| FDA UNII | 78S4GQ9GLR |
Applications & Uses
Uses
3,4-Dihydro Ivermectin 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.