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    Chemistry

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    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
    Levocloperastine Fendizoate
    1 2D Structure

    Levocloperastine Fendizoate

    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

    API Reference Price

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    20-May-2021
    02-Nov-2023
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