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    Technical details about Entecavir Intermediate VIII Isomer, learn more about the structure, uses, toxicity, action, side effects and more

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    Entecavir Intermediate VIII Isomer

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 142217-81-0, 2-amino-1,9-dihydro-9-[(1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one, 3',5'-di-o-benzyl entecavir, Iec6p1l62x, 3',5'-di-o-benzylentecavir, 2-amino-1,9-dihydro-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene cyclopentyl)-6h-purine-6-one
    Molecular Formula
    C26H27N5O3
    Molecular Weight
    457.5  g/mol
    InChI Key
    KROVOOOAPHSWCR-FKBYEOEOSA-N
    FDA UNII
    IEC6P1L62X
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-9-[(1S,3R,4S)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1H-purin-6-one
    2.1.2 InChI
    InChI=1S/C26H27N5O3/c1-17-20(15-33-13-18-8-4-2-5-9-18)22(34-14-19-10-6-3-7-11-19)12-21(17)31-16-28-23-24(31)29-26(27)30-25(23)32/h2-11,16,20-22H,1,12-15H2,(H3,27,29,30,32)/t20-,21-,22-/m0/s1
    2.1.3 InChI Key
    KROVOOOAPHSWCR-FKBYEOEOSA-N
    2.1.4 Canonical SMILES
    C=C1C(CC(C1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4N=C(NC5=O)N
    2.1.5 Isomeric SMILES
    C=C1[C@H](C[C@@H]([C@H]1COCC2=CC=CC=C2)OCC3=CC=CC=C3)N4C=NC5=C4N=C(NC5=O)N
    2.2 Other Identifiers
    2.2.1 UNII
    IEC6P1L62X
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 142217-81-0

    2. 2-amino-1,9-dihydro-9-[(1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl]-6h-purin-6-one

    3. 3',5'-di-o-benzyl Entecavir

    4. Iec6p1l62x

    5. 3',5'-di-o-benzylentecavir

    6. 2-amino-1,9-dihydro-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene Cyclopentyl)-6h-purine-6-one

    7. 2-amino-9-[(1s,3r,4s)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-1h-purin-6-one

    8. Entecavir-9

    9. 2-amino-1,9-dihydro-9-(4-(benzyloxy)-3-(benzyloxymethyl)-2-methylene Cyclopentyl)-6h-purine-6-one, (1s,3r,4s)-

    10. 6h-purin-6-one, 2-amino-1,9-dihydro-9-((1s,3r,4s)-2-methylene-4-(phenylmethoxy)-3-((phenylmethoxy)methyl)cyclopentyl)-

    11. Unii-iec6p1l62x

    12. 2-amino-1,9-dihydro-9-((1s,3r,4s)-4-(benzyloxy)-3-(benzyloxymethyl)-2-methylenecyclopentyl)-6h-purin-6-one

    13. Schembl8781248

    14. 2-amino-9-((1s,3r,4s)-4-(benzyloxy)-3-((benzyloxy)-methyl)-2-methylenecyclopentyl)-1h-purin-6(9h)-one

    15. Mfcd11977291

    16. Zinc34498392

    17. Akos015896700

    18. Akos025402354

    19. Ac-8329

    20. Am84385

    21. 2-amino-1,9-dihydro-9-[(1s,3r,4s)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6h-purin-6-one

    22. 6h-purin-6-one,2-amino-1,9-dihydro-9-[(1s,3r,4s)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-

    23. Ds-18052

    24. Cs-0158057

    25. C72661

    26. 217a810

    27. W-205570

    28. Q27280683

    29. 2-amino-9-((1s,3r,4s)-4-(benzyloxy)-3-((benzyloxy)methyl)-2-methylenecyclopentyl)-1,9-dihydro-6h-purin-6-one

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 457.5 g/mol
    Molecular Formula C26H27N5O3
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count8
    Exact Mass457.21138974 g/mol
    Monoisotopic Mass457.21138974 g/mol
    Topological Polar Surface Area104 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity762
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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