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    AC1Q6ZLJ

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Beta-artether, 109716-83-8, Chembl206947, Schembl4539927, Dtxsid501107226, Akos025401866
    Molecular Formula
    C17H28O5
    Molecular Weight
    312.4  g/mol
    InChI Key
    NLYNIRQVMRLPIQ-APPDHFLQSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,4S,5R,8S,9R,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-APPDHFLQSA-N
    2.1.4 Canonical SMILES
    CCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)C)C
    2.1.5 Isomeric SMILES
    CCOC1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](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. Beta-artether

    2. 109716-83-8

    3. Chembl206947

    4. Schembl4539927

    5. Dtxsid501107226

    6. Akos025401866

    7. 131175-88-7

    8. Ac-26457

    9. (1r,4s,5r,8s,9r,12r,13r)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane

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

    11. Rel-(3r,5as,6r,8as,9r,12r,12ar)-10-ethoxydecahydro-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4,3-j]-1,2-benzodioxepin

    2.3 Create Date
    2005-08-08
    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.)