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    CAS 59767-24-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 59767-24-7, Clemastine (m3), Egis-5927, 1-(4-chlorophenyl)-1-phenylethan-1-ol, Clemastine fumarate impurity c, 1-(4-chlorophenyl)-1-phenylethanol, (+/-)-
    Molecular Formula
    C14H13ClO
    Molecular Weight
    232.70  g/mol
    InChI Key
    MHJLXHJZQCHSIT-UHFFFAOYSA-N
    FDA UNII
    6149LO684B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(4-chlorophenyl)-1-phenylethanol
    2.1.2 InChI
    InChI=1S/C14H13ClO/c1-14(16,11-5-3-2-4-6-11)12-7-9-13(15)10-8-12/h2-10,16H,1H3
    2.1.3 InChI Key
    MHJLXHJZQCHSIT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)O
    2.2 Other Identifiers
    2.2.1 UNII
    6149LO684B
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 59767-24-7

    2. Clemastine (m3)

    3. Egis-5927

    4. 1-(4-chlorophenyl)-1-phenylethan-1-ol

    5. Clemastine Fumarate Impurity C

    6. 1-(4-chlorophenyl)-1-phenylethanol, (+/-)-

    7. 6149lo684b

    8. (rs)-1-(4-chlorophenyl)-1-phenylethanol

    9. 1 -(4-chlorophenyl)-1 -phenylethanol

    10. P-chloro-alpha-methylbenzhydrol

    11. Unii-6149lo684b

    12. Ak153227

    13. Ec 611-881-1

    14. 4-chloro(alpha-methyl-alpha-phenyl)benzenemethanol

    15. Chlorophenyl)-1-phenylethanol

    16. Benzenemethanol, 4-chloro-alpha-methyl-alpha-phenyl-

    17. Schembl4062666

    18. Dtxsid30557173

    19. Amy32004

    20. Bcp33134

    21. 1-phenyl-1-(p-chlorophenyl)ethanol

    22. Mfcd09743490

    23. Akos009996893

    24. Ds-7400

    25. P-chloro-.alpha.-methylbenzhydrol

    26. Cs-0154094

    27. C75792

    28. Q27263286

    29. 4-chloro(.alpha.-methyl-.alpha.-phenyl)benzenemethanol

    30. Benzenemethanol, 4-chloro-.alpha.-methyl-.alpha.-phenyl-

    31. 1-(4-chlorophenyl)-1-phenylethanol;1-(4-chlorophenyl)-1-phenylethan-1-ol

    2.4 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 232.70 g/mol
    Molecular Formula C14H13ClO
    XLogP33.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass232.0654927 g/mol
    Monoisotopic Mass232.0654927 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity217
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1