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    Tenofovir Disoproxil Succinate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    ANALYTICAL

    PharmaCompass
    $ API Ref.Price (USD/KG) : 615Xls

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    2D Structure
    Also known as: 94882wb39e, 1637632-97-3, 2,4,6,8-tetraoxa-5-phosphanonanedioic acid, 5-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, 1,9-bis(1-methylethyl) ester, 5-oxide, butanedioate (1:1), Unii-94882wb39e, Schembl984685, Tenofovir disoproxil succinate [who-dd]
    Molecular Formula
    C23H36N5O14P
    Molecular Weight
    637.5  g/mol
    InChI Key
    CCGIINMVANPRGB-PFEQFJNWSA-N
    FDA UNII
    94882WB39E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;butanedioic acid
    2.1.2 InChI
    InChI=1S/C19H30N5O10P.C4H6O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H2,(H,5,6)(H,7,8)/t14-;/m1./s1
    2.1.3 InChI Key
    CCGIINMVANPRGB-PFEQFJNWSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)OCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)OC(C)C.C(CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    C[C@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C.C(CC(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    94882WB39E
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 94882wb39e

    2. 1637632-97-3

    3. 2,4,6,8-tetraoxa-5-phosphanonanedioic Acid, 5-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, 1,9-bis(1-methylethyl) Ester, 5-oxide, Butanedioate (1:1)

    4. Unii-94882wb39e

    5. Schembl984685

    6. Tenofovir Disoproxil Succinate [who-dd]

    7. Q27271655

    2.4 Create Date
    2009-06-29
    3 Chemical and Physical Properties
    Molecular Weight 637.5 g/mol
    Molecular Formula C23H36N5O14P
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count18
    Rotatable Bond Count20
    Exact Mass637.19963784 g/mol
    Monoisotopic Mass637.19963784 g/mol
    Topological Polar Surface Area260 Ų
    Heavy Atom Count43
    Formal Charge0
    Complexity791
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2