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    CAS 274693-55-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 274693-55-9, 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol, 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol, 1423768-25-5, 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol, Mfcd16875500
    Molecular Formula
    C10H19NO4
    Molecular Weight
    217.26  g/mol
    InChI Key
    WNYYMPICYAOQAE-RYPBNFRJSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(3aR,4S,6R,6aS)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol
    2.1.2 InChI
    InChI=1S/C10H19NO4/c1-10(2)14-8-6(11)5-7(9(8)15-10)13-4-3-12/h6-9,12H,3-5,11H2,1-2H3/t6-,7+,8+,9-/m1/s1
    2.1.3 InChI Key
    WNYYMPICYAOQAE-RYPBNFRJSA-N
    2.1.4 Canonical SMILES
    CC1(OC2C(CC(C2O1)OCCO)N)C
    2.1.5 Isomeric SMILES
    CC1(O[C@H]2[C@@H](C[C@@H]([C@H]2O1)OCCO)N)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 274693-55-9

    2. 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

    3. 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyl-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

    4. 1423768-25-5

    5. 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethanol

    6. Mfcd16875500

    7. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol

    8. 2-[[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]-dioxol-4-yl]oxy]-1-ethanol

    9. Rel-2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol

    10. Ticagrelor Intermediate1

    11. Amot0085

    12. Schembl1834548

    13. Ticagrelor Related Compound 87

    14. Dtxsid40433136

    15. Zinc72194457

    16. Akos015951194

    17. Ex-7176

    18. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol

    19. Ac-28727

    20. Ds-13962

    21. Ethanol, 2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]-

    22. Db-067793

    23. Am20090744

    24. Cs-0055080

    25. D82263

    26. P11947

    27. A846828

    28. J-506153

    29. 2-(6-amino-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yloxy)-ethanol

    30. (3 As,4r,6s,6ar)-6-(2-hydroxyethoxy)-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-amine

    31. [(1r,5s,6r,8s)-8-(2-hydroxyethoxy)-3,3-dimethyl-2,4-dioxabicyclo[3.3.0]octane-6-yl]amine

    32. 2-((3 Ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3 Ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol

    33. 2-((3ar,4s,6r,6as)-6-amino-2,2-dimethyl-tetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol;2-(((3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-3ah-cyclopenta[d][1,3]dioxol-4-yl)oxy)ethanol

    34. 2-{[(3ar,4s,6r,6as)-6-amino-2,2-dimethyltetrahydro-2h,3ah-cyclopenta[d][1,3]dioxol-4-yl]oxy}ethan-1-ol

    35. Rel-2-[[(3ar,4s,6r,6as)-6-aminotetrahydro-2,2-dimethyl-4h-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 217.26 g/mol
    Molecular Formula C10H19NO4
    XLogP3-1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass217.13140809 g/mol
    Monoisotopic Mass217.13140809 g/mol
    Topological Polar Surface Area73.9 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity234
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1