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    1392275-56-7 

    BUILDING BLOCK

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    2D Structure
    Also known as: Tenofovir alafenamide fumarate, 1392275-56-7, Gs-7340 hemifumarate, Tenofovir alafenamide hemifumarate, Gs-7340-03, Tenofovir alafenamide fumarate [usan]
    Molecular Formula
    C46H62N12O14P2
    Molecular Weight
    1069.0  g/mol
    InChI Key
    SVUJNSGGPUCLQZ-FQQAACOVSA-N
    FDA UNII
    FWF6Q91TZO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (E)-but-2-enedioic acid;propan-2-yl (2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoate
    2.1.2 InChI
    InChI=1S/2C21H29N6O5P.C4H4O4/c2*1-14(2)31-21(28)16(4)26-33(29,32-17-8-6-5-7-9-17)13-30-15(3)10-27-12-25-18-19(22)23-11-24-20(18)27;5-3(6)1-2-4(7)8/h2*5-9,11-12,14-16H,10,13H2,1-4H3,(H,26,29)(H2,22,23,24);1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*15-,16+,33+;/m11./s1
    2.1.3 InChI Key
    SVUJNSGGPUCLQZ-FQQAACOVSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3.CC(C)OC(=O)C(C)NP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    FWF6Q91TZO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Gs-7340

    2. Gs-734003

    3. L-alanine, N-((s)-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)phenoxyphosphinyl)-, 1-methylethyl Ester

    4. Tenofovir Alafenamide

    2.3.2 Depositor-Supplied Synonyms

    1. Tenofovir Alafenamide Fumarate

    2. 1392275-56-7

    3. Gs-7340 Hemifumarate

    4. Tenofovir Alafenamide Hemifumarate

    5. Gs-7340-03

    6. Tenofovir Alafenamide Fumarate [usan]

    7. Fwf6q91tzo

    8. Gs-7340 (hemifumarate)

    9. Vemlidy (tn)

    10. Taf

    11. Chembl2364637

    12. Chebi:90923

    13. Dtxsid401027740

    14. (s)-isopropyl 2-(((s)-((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate Fumarate(2:1)

    15. Ex-a2641

    16. Mfcd30534429

    17. S4427

    18. Ac-30255

    19. Tenofovir Alafenamide Fumarate (usan/jan)

    20. Tenofovir Alafenamide Fumarate [mi]

    21. Tenofovir Alafenamide Fumarate [jan]

    22. Tenofovir Alafenamide Fumarate (2:1)

    23. D10605

    24. Tenofovir Alafenamide Fumarate [who-dd]

    25. Tenofovir Alafenamide Fumarate [orange Book]

    26. Descovy Component Tenofovir Alafenamide Fumarate

    27. Odefsey Component Tenofovir Alafenamide Fumarate

    28. Q27162911

    29. Symtuza Component Tenofovir Alafenamide Fumarate

    30. Biktarvy Component Tenofovir Alafenamide Fumarate

    31. Tenofovir Alafenamide Fumarate Component Of Biktarvy

    32. Tenofovir Alafenamide Fumarate Component Of Descovy

    33. Tenofovir Alafenamide Fumarate Component Of Genvoya

    34. Tenofovir Alafenamide Fumarate Component Of Odefsey

    35. Tenofovir Alafenamide Fumarate Component Of Symtuza

    36. (s)-isopropyl 2-(((s)-((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)amino)propanoate Hemifumarate

    37. 1-methylethyl N-((s)-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl(phenoxyphosphinoyl)-l-alaninate, (2e)-2-butenedioate

    38. Bis{9-[(2r,5s,7e)-2,7,10-trimethyl-5,8-dioxo-5-phenoxy-3,9-dioxa-6-aza-5lambda5-phosphaundecan-1-yl]-9h-purin-6-aminium} (2e)-but-2-enedioate

    39. Bis{propan-2-yl N-[(s)-({[(2r)-1-(6-amino-9h-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-l-alaninate} (2e)-but-2-enedioate

    2.4 Create Date
    2013-06-10
    3 Chemical and Physical Properties
    Molecular Weight 1069.0 g/mol
    Molecular Formula C46H62N12O14P2
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count24
    Rotatable Bond Count26
    Exact Mass1068.39836869 g/mol
    Monoisotopic Mass1068.39836869 g/mol
    Topological Polar Surface Area362 Ų
    Heavy Atom Count74
    Formal Charge0
    Complexity799
    Isotope Atom Count0
    Defined Atom Stereocenter Count6
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Drug Indication

    Vemlidy is indicated for the treatment of chronic hepatitis B in adults and adolescents (aged 12 years and older with body weight at least 35 kg).

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    J05AF