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    CAS 911208-73-6

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 911208-73-6, Hdp-tenofovir, Cmx157, Cmx-157, 3-(hexadecyloxy)propyl hydrogen ((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate, Cmx 157
    Molecular Formula
    C28H52N5O5P
    Molecular Weight
    569.7  g/mol
    InChI Key
    SCTJKHUUZLXJIP-RUZDIDTESA-N
    FDA UNII
    K7J545MEMA
    Tenofovir exalidex is under investigation in clinical trial NCT01080820 (A Safety, Tolerability and Pharmacokinetic Study of a Single Dose of CMX157 in Healthy Volunteers).
    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-(3-hexadecoxypropoxy)phosphinic acid
    2.1.2 InChI
    InChI=1S/C28H52N5O5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-36-19-17-20-38-39(34,35)24-37-25(2)21-33-23-32-26-27(29)30-22-31-28(26)33/h22-23,25H,3-21,24H2,1-2H3,(H,34,35)(H2,29,30,31)/t25-/m1/s1
    2.1.3 InChI Key
    SCTJKHUUZLXJIP-RUZDIDTESA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCOCCCOP(=O)(COC(C)CN1C=NC2=C(N=CN=C21)N)O
    2.1.5 Isomeric SMILES
    CCCCCCCCCCCCCCCCOCCCOP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    K7J545MEMA
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cmx 157

    2. Cmx-157

    3. Cmx157

    4. Hdp-tenofovir

    5. Hexadecyloxypropyl 9-(2-(phosphonomethoxy)propyl)adenine

    2.3.2 Depositor-Supplied Synonyms

    1. 911208-73-6

    2. Hdp-tenofovir

    3. Cmx157

    4. Cmx-157

    5. 3-(hexadecyloxy)propyl Hydrogen ((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

    6. Cmx 157

    7. K7j545mema

    8. 9-r-(2-(phosphonomethoxy)propyl)adenine

    9. Phosphonic Acid, (((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, Mono(3-(hexadecyloxy)propyl) Ester

    10. Hexadecyloxypropyl Tenofovir

    11. Unii-k7j545mema

    12. Phosphonic Acid, [[(1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-, Mono[3-(hexadecyloxy)propyl] Ester

    13. Hdp-pmpa

    14. Hdp-(r)-pmpa

    15. Tenofovir Exalidex(cmx157)

    16. Chembl515564

    17. Schembl2299893

    18. Tenofovir Exalidex [inn]

    19. Bdbm77092

    20. Tenofovir Exalidex [who-dd]

    21. Hexadecyloxypropyl Ester Of Tenofovir

    22. Zinc42875215

    23. Db14925

    24. Hy-109014

    25. Cs-0030512

    26. J3.616.616i

    27. Q27282054

    28. Hexadecyloxypropyl 9-(2-(phosphonomethoxy)propyl)adenine

    29. [(1r)-2-(6-aminopurin-9-yl)-1-methyl-ethoxy]methyl-(3-hexadecoxypropoxy)phosphinic Acid

    30. [(2r)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(3-hexadecoxypropoxy)phosphinic Acid

    31. 3-(hexadecyloxy)propyl Hydrogen ((((2r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

    32. 3-(hexadecyloxy)propylhydrogen((((r)-1-(6-amino-9h-purin-9-yl)propan-2-yl)oxy)methyl)phosphonate

    33. Phosphonic Acid, P-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, Mono(3(hexadecyloxy)propyl) Ester

    34. Phosphonic Acid, P-(((1r)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy)methyl)-, Mono(3-(hexadecyloxy)propyl) Ester

    2.4 Create Date
    2007-12-26
    3 Chemical and Physical Properties
    Molecular Weight 569.7 g/mol
    Molecular Formula C28H52N5O5P
    XLogP36.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count25
    Exact Mass569.37060677 g/mol
    Monoisotopic Mass569.37060677 g/mol
    Topological Polar Surface Area135 Ų
    Heavy Atom Count39
    Formal Charge0
    Complexity650
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Anti-HIV Agents

    Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS. (See all compounds classified as Anti-HIV Agents.)

    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.)