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  • Arteether
Name:Arteether
CAS No:75887-54-6

PRODUCT DESCRIPTION

【Name】
Arteether
【CAS Registry number】
75887-54-6
【Synonyms】
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin,10-ethoxydecahydro-3,6,9-trimethyl-, [3R-(3a,5ab,6b,8ab,9a,10a,12b,12aR*)]-
Artemotil
Dihydroqinghaosu ethyl ether
NSC 665971
SM 227
b-Arteether
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin,10-ethoxydecahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,10S,12R,12aR)-
【Molecular Formula】
C17H28O5 (Products with the same molecular formula)
【Molecular Weight】
312.4
【Inchi】
InChI=1/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
【Canonical SMILES】
CCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)C)C
【Isomers smiles】
CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)OC(CC3)(OO4)C)C)C
【MOL File】
75887-54-6.mol

Chemical and Physical Properties

【Appearance】
white crystalline solid.
【Density】
1.16 g/cm3
【Melting Point】
80-820 °C
【Boiling Point】
372.4 °C at 760 mmHg
【Refractive Index】
1.516
【Flash Point】
146 °C
【Storage temp】
-20°C Freezer
【Computed Properties】
Molecular Weight:312.40122 [g/mol]
Molecular Formula:C17H28O5
XLogP3-AA:3.4
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:2
Exact Mass:312.193674
MonoIsotopic Mass:312.193674
Topological Polar Surface Area:46.2
Heavy Atom Count:22
Formal Charge:0
Complexity:443
Isotope Atom Count:0
Defined Atom Stereocenter Count:7
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Ring Count:3
Effective Rotor Count:4.2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

Safety and Handling

【Specification】

 Arteether , its cas register number is 75887-54-6. It also can be called (3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-Ethoxydecahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin ; Artemotil ; Dihydroartemisinin ethyl ether ; 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, 10-ethoxydecahydro-3,6,9-trimethyl-, (3S-(3alpha,5alpha,6alpha,8aalpha,9beta,10beta,12beta,12aalpha))- ; 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin, decahydro-10-ethoxy-3,6,9-trimethyl-, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12aR*))- . It is a white crystalline solid.

Use and Manufacturing

【Usage】
Derivative of Artemisinin. Antimalarial

Biomedical Effects and Toxicity

【Pharmacological Action】
- Agents which are destructive to amebae, especially the parasitic species causing AMEBIASIS in man and animal.
- Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
- Agents that act systemically to kill adult schistosomes.
【Therapeutic Uses】
Derivative of Artemisinin. Antimalarial

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