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    Arteether

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: Artemotil [inn], Artemotil (inn), Beta arteether, Beta-dihydroartemisinin ethyl ether, Ethoxy(trimethyl)[?], Xgl7gfb9yi
    Molecular Formula
    C17H28O5
    Molecular Weight
    312.4  g/mol
    InChI Key
    NLYNIRQVMRLPIQ-BVCZABNKSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (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
    2.1.2 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
    2.1.3 InChI Key
    NLYNIRQVMRLPIQ-BVCZABNKSA-N
    2.1.4 Canonical SMILES
    CCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)C)C
    2.1.5 Isomeric 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
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Arteether

    2. Arteether, (3r-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12ar*))-isomer

    3. Arteether, (3r-(3alpha,5abeta,6beta,8abeta,9alpha,10beta,12beta,12ar*))-isomer

    4. Artemotil

    5. Artether

    6. Beta-artether

    7. Sm-227

    2.2.2 Depositor-Supplied Synonyms

    1. Artemotil [inn]

    2. Artemotil (inn)

    3. Beta Arteether

    4. Beta-dihydroartemisinin Ethyl Ether

    5. Ethoxy(trimethyl)[?]

    6. Xgl7gfb9yi

    7. Unii-xgl7gfb9yi

    8. Sm 227

    9. 109716-83-8

    10. Nsc 665971

    11. Ethyl-ether-quinghaosu

    12. Dsstox_cid_31610

    13. Dsstox_rid_97494

    14. Dsstox_gsid_57821

    15. Schembl1648554

    16. Chembl3560584

    17. Dtxsid6057821

    18. Tox21_113883

    19. Ncgc00253770-01

    20. 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))-

    21. 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*))-

    22. Cas-75887-54-6

    23. Wr-255131

    24. D07361

    25. A915244

    26. (3r,12ar)-3,6alpha,9beta-trimethyl-10beta-ethoxy-3beta,12alpha-epoxy-3,4,5,5aalpha,6,7,8,8aalpha,9,10-decahydropyrano[4,3-j]-1,2-benzodioxepin

    27. 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)-

    2.3 Create Date
    2005-08-01
    3 Chemical and Physical Properties
    Molecular Weight 312.4 g/mol
    Molecular Formula C17H28O5
    XLogP33.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass312.19367399 g/mol
    Monoisotopic Mass312.19367399 g/mol
    Topological Polar Surface Area46.2 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity443
    Isotope Atom Count0
    Defined Atom Stereocenter Count7
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antimalarials

    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) (See all compounds classified as Antimalarials.)

    Schistosomicides

    Agents that act systemically to kill adult schistosomes. (See all compounds classified as Schistosomicides.)

    Amebicides

    Agents which are destructive to amebae, especially the parasitic species causing AMEBIASIS in man and animal. (See all compounds classified as Amebicides.)