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    Arterolane

    INTERMEDIATES

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    PharmaCompass
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    2D Structure
    Also known as: 664338-39-0, Arterolane [inn], Oz 277, Rbx11160, Oz277, Oz-277
    Molecular Formula
    C22H36N2O4
    Molecular Weight
    392.5  g/mol
    InChI Key
    VXYZBLXGCYNIHP-UHFFFAOYSA-N
    FDA UNII
    3N1TN351VB
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 InChI
    InChI=1S/C22H36N2O4/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15/h14-18H,3-13,23H2,1-2H3,(H,24,25)
    2.1.2 InChI Key
    VXYZBLXGCYNIHP-UHFFFAOYSA-N
    2.1.3 Canonical SMILES
    CC(C)(CNC(=O)CC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N
    2.2 Other Identifiers
    2.2.1 UNII
    3N1TN351VB
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Oz 277

    2. Oz-277

    3. Oz277 Cpd

    4. Rbx 11160

    5. Rbx-11160

    2.3.2 Depositor-Supplied Synonyms

    1. 664338-39-0

    2. Arterolane [inn]

    3. Oz 277

    4. Rbx11160

    5. Oz277

    6. Oz-277

    7. Rbx-11160

    8. 3n1tn351vb

    9. Rbx 11160

    10. Oz 277;rbx 11160

    11. N-(2-amino-2-methylpropyl)-2-{dispiro[adamantane-2,2'-[1,3,5]trioxolane-4',1''-cyclohexane]-4''-yl}acetamide

    12. Arterolano

    13. Arterolanum

    14. Unii-3n1tn351vb

    15. Oz277 Cpd

    16. Arterolane [who-dd]

    17. Chembl221773

    18. Chembl404431

    19. Chembl578577

    20. Chembl580910

    21. Schembl4547841

    22. Chembl1197433

    23. Schembl10307589

    24. Schembl11379522

    25. Schembl12612733

    26. Schembl13951812

    27. Dtxsid50985095

    28. Chebi:136054

    29. Zinc14191464

    30. At25294

    31. Ncgc00274173-01

    32. Hy-10852

    33. Cs-0002648

    34. Dispiro(cyclohexane-1,3'-(1,2,4)trioxolane-5',2''-tricyclo(3.3.1.13,7)decane)-4-acetamide, N-(2-amino-2-methylpropyl)-, Cis-

    35. N-(2-amino-2-methylpropyl)-2-((1r,3r,4''s,5r,5's,7r)-dispiro[adamantane-2,3'-[1,2,4]trioxolane-5',1''-cyclohexan]-4''-yl)acetamide

    36. N-(2-amino-2-methylpropyl)-2-[(1s,4s)-dispiro[cyclohexane-1,3'-[1,2,4]trioxolane-5',2''-tricyclo[3.3.1.1(3,7)]decan]-4-yl]acetamide

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 392.5 g/mol
    Molecular Formula C22H36N2O4
    XLogP32.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count4
    Exact Mass392.26750763 g/mol
    Monoisotopic Mass392.26750763 g/mol
    Topological Polar Surface Area82.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity598
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1