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    Technical details about Laninamivir Octanoate, learn more about the structure, uses, toxicity, action, side effects and more

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    Laninamivir Octanoate

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    2D Structure
    1. Also known as: Mcg28bi87w, 1233643-88-3, Inavir, Laninamivir octanoate hydrate, Laninamivir octanoate hydrate (jan), Laninamivir octanoate hydrate [jan]
    Molecular Formula
    C21H38N4O9
    Molecular Weight
    490.5  g/mol
    InChI Key
    IBFFAVWCRFPPNZ-QZAMVOJNSA-N
    FDA UNII
    MCG28BI87W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-2-hydroxy-1-methoxy-3-octanoyloxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid;hydrate
    2.1.2 InChI
    InChI=1S/C21H36N4O8.H2O/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30;/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25);1H2/t13-,14+,17+,18+,19+;/m0./s1
    2.1.3 InChI Key
    IBFFAVWCRFPPNZ-QZAMVOJNSA-N
    2.1.4 Canonical SMILES
    CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O.O
    2.1.5 Isomeric SMILES
    CCCCCCCC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C=C(O1)C(=O)O)N=C(N)N)NC(=O)C)OC)O.O
    2.2 Other Identifiers
    2.2.1 UNII
    MCG28BI87W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(acetylamino)-4-((aminoiminomethyl)amino)-2,6-anhydro-3,4,5-trideoxy-7-o-methyl-d-glycero-d-galacto-non-2-enonic Acid

    2. Laninamivir

    3. Laninamivir Octanoate

    4. Laninamivir Octanoate Hydrate

    5. Laninamivir Trifluoroacetate

    6. R 125489

    7. R-125489

    8. R125489

    2.3.2 Depositor-Supplied Synonyms

    1. Mcg28bi87w

    2. 1233643-88-3

    3. Inavir

    4. Laninamivir Octanoate Hydrate

    5. Laninamivir Octanoate Hydrate (jan)

    6. Laninamivir Octanoate Hydrate [jan]

    7. Unii-mcg28bi87w

    8. Schembl17728099

    9. Dtxsid70153991

    10. Laninamivir Octanoate Hydrate, (+)-

    11. D09547

    12. Laninamivir Octanoate Monohydrate [who-dd]

    13. Laninamivir Octanoic Acid Ester Hydrate [mi]

    14. Q27283864

    15. (2r,3r,4s)-3-acetamido-4-guanidino-2-((1r,2r)-2-hydroxy-1-methoxy-3-(octanoyloxy)propyl)-3,4-dihydro-2h-pyran-6-carboxylic Acid Monohydrate

    2.4 Create Date
    2010-10-25
    3 Chemical and Physical Properties
    Molecular Weight 490.5 g/mol
    Molecular Formula C21H38N4O9
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count15
    Exact Mass490.26387880 g/mol
    Monoisotopic Mass490.26387880 g/mol
    Topological Polar Surface Area197 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity723
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antiviral Agents

    Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

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