HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Avermectin A1a, 5-O-Demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)-
AbaMectin B1b · C-076B1b · avermectin b1b · Aviparazine B1b · Antibiotic C-076B1b · Abamectin B1b (~90%) · Dolamectin Impurity 2 · Ivermectin Impurity B(EP)
Identifikatoren & physikalische Daten
| CAS No. | 65195-56-4 |
|---|---|
| Summenformel | C47H70O14 |
| Durchschnittliche Molmasse | 859 g/mol |
| Monoisotopische Masse | 858,47655692 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(C=C[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 | ZFUKERYTFURFGA-PVVXTEPVSA-N |
| PubChem CID | 6858005 |
| ChEMBL | CHEMBL2079552 |
| ChEBI | CHEBI:29537 |
| EC No. | 265-611-9 |
| DTXSID | DTXSID4058239 |
| Lokaler Name | Avermectin A1a, 5-O-Demethyl-25-de(1-methylpropyl)-25-(1-methylethyl)- |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 170 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 14 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 61 |
| Formalladung | 0 |
| Komplexität | 1.710 |
| Arzneimittel | Pharmaceuticals -> Antibiotics |
| Lipide | Polyketides [PK] -> Macrolides and lactone polyketides [PK04] |
| Pestizide | Acaricides, Insecticides |
| Siedepunkt | 934.6±65.0 °C(Predicted) |
| Dichte | 1.25±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | Soluble in DMSO |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 12.42±0.70(Predicted) |
| Farbe | white |
| Stabilität | Unstable in Solution, Very Hygroscopic |
| InChIKey | ZFUKERYTFURFGA-VMROQZAPNA-N |
| EPA chemische Informationen | Avermectin B1b (65195-56-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300+H330 (96.6%): Fatal if swallowed or if inhaled [Danger Acute toxicity, oralacute toxicity, inhalation]P203, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (100%) |
| Gesundheitliche Auswirkungen | Avermectins are neurotoxic and have reproductive and developmental effects. (L1826) |
| Toxizitätsübersicht | It has low solubility in water and extensive non-specific binding. It opens GABA-insensitive chloride channels, reducing membrane resistance and increasing conductance inward. (T10) |
| Signs and Symptoms | Avermectins cause irritation of skin and eyes, central nervous system depression (incoordination, tremors, lethargy, excitation, pupil dilation, coma), vomiting, convulsions and/or tremors, and respiratory failure at high doses. (L1826) |
| Carcinogen Classification | Not listed by IARC. |
| UN-Transportnummer | 2588 |
| Gefahrenklasse | 6.1(a) |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Avermectin B1b is the minor component (