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    Levocloperastine Fendizoate

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,133Xls

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    2D Structure
    Also known as: 220329-19-1, Privituss, (s)-cloperastine fendizoate, 09837k287s, 1-[2-[(s)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic acid, Benzoic acid, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)-, compd. with (-)-1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1)
    Molecular Formula
    C40H38ClNO5
    Molecular Weight
    648.2  g/mol
    InChI Key
    PXZFKAKWSHBDCP-BDQAORGHSA-N
    FDA UNII
    09837K287S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-[(S)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
    2.1.2 InChI
    InChI=1S/C20H24ClNO.C20H14O4/c21-19-11-9-18(10-12-19)20(17-7-3-1-4-8-17)23-16-15-22-13-5-2-6-14-22;21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1,3-4,7-12,20H,2,5-6,13-16H2;1-12,21H,(H,23,24)/t20-;/m0./s1
    2.1.3 InChI Key
    PXZFKAKWSHBDCP-BDQAORGHSA-N
    2.1.4 Canonical SMILES
    C1CCN(CC1)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O
    2.1.5 Isomeric SMILES
    C1CCN(CC1)CCO[C@@H](C2=CC=CC=C2)C3=CC=C(C=C3)Cl.C1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3C(=O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    09837K287S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 220329-19-1

    2. Privituss

    3. (s)-cloperastine Fendizoate

    4. 09837k287s

    5. 1-[2-[(s)-(4-chlorophenyl)-phenylmethoxy]ethyl]piperidine;2-(4-hydroxy-3-phenylbenzoyl)benzoic Acid

    6. Benzoic Acid, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)-, Compd. With (-)-1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1)

    7. Benzoic Acid, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)-, Compd. With 1-(2-((s)-(4-chlorophenyl)phenylmethoxy)ethyl)piperidine (1:1)

    8. Piperidine, 1-(2-((4-chlorophenyl)phenylmethoxy)ethyl)-, (-)-, 2-((6-hydroxy(1,1'-biphenyl)-3-yl)carbonyl)benzoate

    9. Unii-09837k287s

    10. Levocloperastine Fendizoate [who-dd]

    11. Q27236467

    2.4 Create Date
    2015-03-18
    3 Chemical and Physical Properties
    Molecular Weight 648.2 g/mol
    Molecular Formula C40H38ClNO5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count10
    Exact Mass647.2438510 g/mol
    Monoisotopic Mass647.2438510 g/mol
    Topological Polar Surface Area87.1 Ų
    Heavy Atom Count47
    Formal Charge0
    Complexity772
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2