HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Npc182939
Dihydroartemisinin · (3r,5as,6r,8as,9r,10r,12r,12ar)-decahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j]-1,2-benzodioxepin-10-ol · Dihydroartemisin · Dihydroarteminisin · Dihydroartemisinin (DHA) · Alaxin · DHQHS 2 · Cotexin
Identifikatoren & physikalische Daten
| CAS No. | 71939-50-9 |
|---|---|
| Summenformel | C15H24O5 |
| Durchschnittliche Molmasse | 284,35 g/mol |
| SMILES | C[C@H]1[C@@H](O)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 |
| InChIKey | BJDCWCLMFKKGEE-ISOSDAIHSA-N |
| PubChem CID | 456410 |
| EC No. | 615-698-8 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 415 |
| Schmelzpunkt | 144-149°C |
| Siedepunkt | 375.6±42.0 °C(Predicted) |
| Dichte | 1.24 |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | DMSO : 41.67 mg/mL (146.54 mMNeed ultrasonic) |
| pKa (Säurekonstante) | 12.61±0.70(Predicted) |
| Aggregatzustand | solid |
| Farbe | White to Almost white |
| Merck | 14,817 |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14-,15-/m1/s1 |
| InChIKey | BJDCWCLMFKKGEE-ISOSDAIHSA-N |
| SMILES | O1[C@]23[C@@]4([H])O[C@@](C)(CC[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)[C@@H](O)O4)O1 |
| CAS Datenbank | 71939-50-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH242 (100%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 17-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26782 |
| Hazard Classes and Categories | Org. Perox. C (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29329990 |
| RTECS-Nr. | KD4165550 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 5.2 - Organic peroxides and self-reacting hazardous materials |
| Gefahrenklasse | Aquatic Chronic 2Org. Perox. C |
Anwendungen & Verwendung
Verwenden
The main metabolite of Artemisinin, Arteether, Artemether, Artesunate. An active antimalarial metabolite