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    CAS 134002-26-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 134002-26-9, 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartarate, Hmw3q5bc2m, Darifenacin intermediate iv, Darifenacin_dealkyl_tartrate, 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartrate
    Molecular Formula
    C22H26N2O7
    Molecular Weight
    430.5  g/mol
    InChI Key
    HRXFENQYWZZQMX-NUFNRNBZSA-N
    FDA UNII
    HMW3Q5BC2M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R)-2,3-dihydroxybutanedioic acid;2,2-diphenyl-2-[(3S)-pyrrolidin-3-yl]acetamide
    2.1.2 InChI
    InChI=1S/C18H20N2O.C4H6O6/c19-17(21)18(16-11-12-20-13-16,14-7-3-1-4-8-14)15-9-5-2-6-10-15;5-1(3(7)8)2(6)4(9)10/h1-10,16,20H,11-13H2,(H2,19,21);1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2-/m11/s1
    2.1.3 InChI Key
    HRXFENQYWZZQMX-NUFNRNBZSA-N
    2.1.4 Canonical SMILES
    C1CNCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.C(C(C(=O)O)O)(C(=O)O)O
    2.1.5 Isomeric SMILES
    C1CNC[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    HMW3Q5BC2M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 134002-26-9

    2. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartarate

    3. Hmw3q5bc2m

    4. Darifenacin Intermediate Iv

    5. Darifenacin_dealkyl_tartrate

    6. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrroloidine-l-(+)-tartrate

    7. (s)-alpha,alpha-diphenyl-3-pyrrolidine Acetamide L-tartaric Acid Salt

    8. 3-(s)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine L-(+)-tartrate

    9. (2r,3r)-2,3-dihydroxybutanedioic Acid;2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide

    10. 3-(s)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine Tartrate

    11. (s)-3-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine L-tartrate

    12. 3-(s)-(-)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine Tartrate

    13. Mfcd09750973

    14. Unii-hmw3q5bc2m

    15. Schembl3232082

    16. Dtxsid50648092

    17. Cs-m1817

    18. Ac-379

    19. Akos015920138

    20. Ds-1229

    21. (2r,3r)-2,3-dihydroxybutanedioic Acid; 2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide

    22. (s)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetamide(2r,3r)-2,3-dihydroxysuccinate

    23. Db-008994

    24. 002d269

    25. A806712

    26. (s)-alpha,alpha-diphenyl-3-pyrrolidineacetamide L-tartrate

    27. (s)-2,2-diphenyl-2-(pyrrolidin-3-yl)acetamide L-tartaric Acid Salt

    28. 3-(s)-(+)-(1-carbamoyl-1,1-diphenylmethyl)pyrrolidine L-(+)-tartrate

    29. (2r,3r)-2,3-dihydroxybutanedioic Acid--2,2-diphenyl-2-[(3s)-pyrrolidin-3-yl]acetamide (1/1)

    30. 3-pyrrolidineacetamide, .alpha.,.alpha.-diphenyl-, (3s)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

    31. 3-pyrrolidineacetamide, .alpha.,.alpha.-diphenyl-, (s)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

    32. 3-pyrrolidineacetamide, Alpha,alpha-diphenyl-, (3s)-, (2r,3r)-2,3-dihydroxybutanedioate (1:1)

    33. 3-pyrrolidineacetamide, Alpha,alpha-diphenyl-, (s)-, (r-(r*,r*))-2,3-dihydroxybutanedioate (1:1)

    2.4 Create Date
    2008-10-20
    3 Chemical and Physical Properties
    Molecular Weight 430.5 g/mol
    Molecular Formula C22H26N2O7
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass430.17400117 g/mol
    Monoisotopic Mass430.17400117 g/mol
    Topological Polar Surface Area170 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity472
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2