HuagongsheHuagongshe Chemistry Print Report · For research reference only
Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-
Ivermectin B1b · Component B1b · IvermectinH2B1b · avermectin H2B1b · Dihydroavermectin B1b · 22,23-Dihydroavermectin B1b · 22,23- dihydroavermectin B1b (Ivermectin B1b) · 22,23-Dihydro-34-nor-5-O-demethylavermectin A1a

Identifiers & Physical Properties
| CAS No. | 70209-81-3 |
|---|---|
| Molecular formula | C47H72O14 |
| Average molar mass | 861.1 g/mol |
| Monoisotopic mass | 860.49220698 g/mol |
| SMILES | CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O |
| InChIKey | VARHUCVRRNANBD-PVVXTEPVSA-N |
| PubChem CID | 6321425 |
| ChEBI | CHEBI:63943 |
| EC No. | 274-384-5 |
| DTXSID | DTXSID3023182 |
Chemical & Physical Properties
| XLogP | 3.8 |
|---|---|
| Topological polar surface area | 170 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 14 |
| Rotatable bonds | 7 |
| Heavy atoms | 61 |
| Formal charge | 0 |
| Complexity | 1,660 |
| Boiling point | 934.1±65.0 °C(Predicted) |
| Density | 1.24±0.1 g/cm3(Predicted) |
| Storage conditions | Store at -20°C |
| Solubility | DMF: SolubleDMSO: SolubleEthanol: SolubleMethanol: Soluble |
| Physical state | A solid |
| pKa (acidity coefficient) | 12.42±0.70(Predicted) |
| Color | White to off-white |
| Stability | Temperature sensitive |
| InChIKey | VARHUCVRRNANBD-PVVXTEPVSA-N |
| FDA UNII | 0W28CYI3TU |
| UN transport number | 2588 |
| Hazard class | 6.1(a) |
| Packing group | II |
Safety & Regulations
| Regulatory information | Avermectin A1a, 5-O-demethyl-25-de(1-methylpropyl)-22,23-dihydro-25-(1-methylethyl)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
|---|---|
| UN transport number | 2588 |
| Hazard class | 6.1(a) |
| Packing group | II |
Applications & Uses
Uses
Ivermectin B1b is a minor component of Ivermectin (I940800), a semi-synthetic derivative of Abamectin; consists of a mixture of not less than 80% component B1a and not more than 20% component B1b. Antihelmintic (Onchocerca). An invitro inhibitor of SARS-CoV-2/ Covid-19.
Uses
Ivermectin B1b (dihydroavermectin B1b) is the minor component (