(1S,4S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo(10.3.1.04,13.08,13)hexadecane
Grundinformationen
- CAS
75887-54-6- Standard-SMILES
CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3- InChIKey
NLYNIRQVMRLPIQ-RRIGHJONSA-N- Summenformel
- C17H28O5
- Durchschnittliche Molmasse
- 312,4 g/mol
- Monoisotopische Masse
- 312,19367399
Namen und Bezeichner
- Bevorzugter Name
- (1S,4S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo(10.3.1.04,13.08,13)hexadecane
- IUPAC
- (1S,4S,5R,8S,9R,10S,12R,13R)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
- Englischer Name
- Arteether
- Summenformel
- C17H28O5
- Molmasse
- 312.4
Namen und Synonyme
(1S,4S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo(10.3.1.04,13.08,13)hexadecane(1S,4S,5R,8S,9R,10S,12R,13R)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecaneRefChem:394211112-004-0CHEMBL410096SCHEMBL17193162Alpha Beta ArteetherArtemotilTAGLSM-22SM-227Areether
Weitere Namen anzeigen
ArteetheArteetherARPRINOCIDaArteether
Datenbank-Bezeichner
- CAS
75887-54-6- PubChem CID
- 9883248
- ChEMBL
CHEMBL410096- EC Number
- 112-004-0
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,4
- Polarare Oberfläche (TPSA)
- 46,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 443
Physikochemische Eigenschaften
- Schmelzpunkt
- 80 · 80-820C
- Siedepunkt
- 372.4 · 372.4±42.0 °C(Predicted)
- Dichte
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White
- InChI
- InChI=1S/C17H28O5/c1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16-,17-/m1/s1
- InChIKey
- NLYNIRQVMRLPIQ-XQLAAWPRSA-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](OCC)O4)O1
- CAS Datenbank
- 75887 · 75887-54-6
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H361d (100%): Suspected of damaging the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesRepr. 2 (100%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 13 - Non Combustible Solids
- Hazard Classifications
- Repr. 2
Chemie und Industrie
Anwendungen
BeschreibungArteether reached the market in the Netherlands as a solution in sesame oil, administered by i.m. injection, for the treatment of severe malaria infections in children and adolescents. Artheether, a sesquiterpene acetal with an endoperoxide bridge, is an ether derivative of the naturally occuring compound artemisinin, the active component of Chinese herbal remedies. As the other structural analogs of artemisinin, such as artesunate or artemether, it acts rapidly against Plasmodium, the parasite responsible for the disease, during the early blood stage of its development. It also exhibits a gametocytocidal activity against Plasmodium falciparum, reducing its potential for transmission. Because the only controlled clinical studies had been performed in children and adolescents, this new antimalarial drug was only approved for young patients. Further studies in adults treated with 150 mg i.m. artemotil, once daily for three consecutive days, indicated that the drug was efficient, rapidly acting (parasite clearance time meanly 38 h) and well tolerated. A new promising achievement in the regression of malaria is the combination of artemisinin derivatives with other long-lived antimalarials as mefloquine or pyrimethamine/sulfa.
VerwendenDerivative of Artemisinin. Antimalarial
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