Identifikatoren & physikalische Daten
| CAS No. | 119241-68-8 |
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| Summenformel | C15H22O5 |
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| Durchschnittliche Molmasse | 282,33 g/mol |
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| SMILES | C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 |
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| InChIKey | BLUAFEHZUWYNDE-NNWCWBAJSA-N |
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| PubChem CID | 68827 |
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| ChEMBL | CHEMBL269671 |
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| ChEBI | CHEBI:223316 |
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| EC No. | 700-290-5 |
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| DTXSID | DTXSID2040652 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
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| Polarare Oberfläche (TPSA) | 54 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 452 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Lipide | Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103] |
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| LogP (Verteilungskoeffizient) | 2.9 |
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| Collision Cross Section | 168.1 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]167.28 Ų [M+K]+ [CCS Type: TW |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 5.6% (2 of 36) of reports.DangerH242 (91.7%): Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P273, P280, P370+P378, P391, P403, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 36 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 15-11-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/1057 |
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| Hazard Classes and Categories | Org. Perox. D (91.7%) |
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| Toxizitätsübersicht | A 2025 systematic review notes that although Artemisinin is generally regarded as being well-tolerated, ico-administration with other pharmacological agents should be carefully monitored. In animal-focused studies, Artemisinin led to neurotoxicity (affecting brain matter and nuclei), cardiotoxicity (slower heart rate and prolonged QTc interval), hematotoxicity (low counts of white blood cells and platelets), and genotoxicity, embryotoxicity, and nephrotoxicity. |
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| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)ArtemisininDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
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