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    Saredutant Succinate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Sr48968c, Sr-48968c, 176381-98-9, 6fe8pg636r, Benzamide, n-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-n-methyl-, (s)-, butanedioate (1:1), N-[(2s)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-n-methylbenzamide;butanedioic acid
    Molecular Formula
    C35H41Cl2N3O6
    Molecular Weight
    670.6  g/mol
    InChI Key
    RCPXXEKUUCEFEI-UFTMZEDQSA-N
    FDA UNII
    6FE8PG636R
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide;butanedioic acid
    2.1.2 InChI
    InChI=1S/C31H35Cl2N3O2.C4H6O4/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24;5-3(6)1-2-4(7)8/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37);1-2H2,(H,5,6)(H,7,8)/t26-;/m1./s1
    2.1.3 InChI Key
    RCPXXEKUUCEFEI-UFTMZEDQSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1(CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4.C(CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CC(=O)NC1(CCN(CC1)CC[C@H](CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4.C(CC(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    6FE8PG636R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (s)-n-methyl-n(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide

    2. Saredutant

    3. Sr 48965

    4. Sr 48968

    5. Sr 48968c

    6. Sr-48968

    7. Sr-48968c

    8. Sr48968

    9. Sr48968c

    2.3.2 Depositor-Supplied Synonyms

    1. Sr48968c

    2. Sr-48968c

    3. 176381-98-9

    4. 6fe8pg636r

    5. Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-n-methyl-, (s)-, Butanedioate (1:1)

    6. N-[(2s)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-n-methylbenzamide;butanedioic Acid

    7. Unii-6fe8pg636r

    8. Dtxsid80170119

    9. Q27264815

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 670.6 g/mol
    Molecular Formula C35H41Cl2N3O6
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count12
    Exact Mass669.2372414 g/mol
    Monoisotopic Mass669.2372414 g/mol
    Topological Polar Surface Area127 Ų
    Heavy Atom Count46
    Formal Charge0
    Complexity853
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2