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    Besifovir

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

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    2D Structure
    Also known as: 441785-25-7, ((1-((2-amino-9h-purin-9-yl)methyl)cyclopropoxy)methyl)phosphonic acid, Besifovir [inn], [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid, 4plg22cquu, Lb80331
    Molecular Formula
    C10H14N5O4P
    Molecular Weight
    299.22  g/mol
    InChI Key
    KDNSSKPZBDNJDF-UHFFFAOYSA-N
    FDA UNII
    4PLG22CQUU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid
    2.1.2 InChI
    InChI=1S/C10H14N5O4P/c11-9-12-3-7-8(14-9)15(5-13-7)4-10(1-2-10)19-6-20(16,17)18/h3,5H,1-2,4,6H2,(H2,11,12,14)(H2,16,17,18)
    2.1.3 InChI Key
    KDNSSKPZBDNJDF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC1(CN2C=NC3=CN=C(N=C32)N)OCP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4PLG22CQUU
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. ((1-((2-amino-9h-purin-9-yl)methyl)cyclopropyl)oxy)methylphosphonic Acid Di(pivaloyloxymethyl) Ester

    2. ((1-((2-amino-9h-purin-9-yl)methyl)cyclopropyl)oxy)methylphosphonic Acid Dipivoxyl

    3. Lb-80380

    4. Pmcdg Dipivoxyl

    2.3.2 Depositor-Supplied Synonyms

    1. 441785-25-7

    2. ((1-((2-amino-9h-purin-9-yl)methyl)cyclopropoxy)methyl)phosphonic Acid

    3. Besifovir [inn]

    4. [1-[(2-aminopurin-9-yl)methyl]cyclopropyl]oxymethylphosphonic Acid

    5. 4plg22cquu

    6. Lb80331

    7. (((1-((2-amino-9h-purin-9-yl)methyl)cyclopropyl)oxy)methyl)phosphonic Acid

    8. P-[[[1-[(2-amino-9h-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-phosphonic Acid

    9. Phosphonic Acid, [[[1-[(2-amino-9h-purin-9-yl)methyl]cyclopropyl]oxy]methyl]- (9ci)

    10. Phosphonic Acid, P-(((1-((2-amino-9h-purin-9-yl)methyl)cyclopropyl)oxy)methyl)-

    11. Unii-4plg22cquu

    12. ((1-((2-amino-9h-purin-9-yl)methyl)cyclopropoxy)-methyl)phosphonic Acid

    13. Phosphonic Acid, [[[1-[(2-amino-9h-purin-9-yl)methyl]cyclopropyl]oxy]methyl]-

    14. Lb 80331

    15. Besifovir [who-dd]

    16. Chembl329091

    17. Schembl2908200

    18. Dtxsid601027760

    19. Zinc1553339

    20. (1-((2-amino-9h-purin-9-yl)methyl)cyclopropoxy)methylphosphonic Acid

    21. S6729

    22. Akos015905102

    23. Ac-36989

    24. Hy-19447

    25. Cs-0015550

    26. Ft-0653031

    27. D96121

    28. A826506

    29. Q27260336

    30. [1-[(2-aminopurin-9-yl)methyl]cyclopropoxy]methylphosphonic Acid

    31. ({1-[(2-amino-9h-purin-9-yl)methyl]cyclopropyl}oxy)methylphosphonic Acid

    32. P-((1-((2-amino-9h-purin-9-yl)methyl)cyclopropyl)oxymethyl)phosphonic Acid

    2.4 Create Date
    2005-10-07
    3 Chemical and Physical Properties
    Molecular Weight 299.22 g/mol
    Molecular Formula C10H14N5O4P
    XLogP3-1.8
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass299.07834094 g/mol
    Monoisotopic Mass299.07834094 g/mol
    Topological Polar Surface Area136 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity415
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1