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    Clofedanol
    Also known as: 511-13-7, Clofedanol hydrochloride, Pectolitan, Coldrin, Ulone, Chlophedianol hcl
    Molecular Formula
    C17H21Cl2NO
    Molecular Weight
    326.3  g/mol
    InChI Key
    XYGSFNHCFFAJPO-UHFFFAOYSA-N
    FDA UNII
    69QQ58998Y
    1 2D Structure

    Clofedanol

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride
    2.1.2 InChI
    InChI=1S/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H
    2.1.3 InChI Key
    XYGSFNHCFFAJPO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    69QQ58998Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-chloro-alpha-(2-dimethylaminoethyl)benzhydrol

    2. Baltix

    3. Chlophedianol

    4. Chlophendianol Hydrochloride

    5. Clofedanol

    6. Clofedanol Hydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 511-13-7

    2. Clofedanol Hydrochloride

    3. Pectolitan

    4. Coldrin

    5. Ulone

    6. Chlophedianol Hcl

    7. Bayer-186

    8. Sl 501

    9. Chlophedianol Hydrochloride [usan]

    10. Chlophedianol (hydrochloride)

    11. Sk-74

    12. 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

    13. Sl-501

    14. 69qq58998y

    15. Ulo

    16. 511-13-7 (hcl)

    17. 2-chloro-alpha-[2-dimethylaminoethyl]benzhydrol Hydrochloride

    18. Detigon

    19. Refugal

    20. Detigon-bayer

    21. Prontosed

    22. Tigonal

    23. Eutus

    24. Chlophedianol Hydrochloride (usan)

    25. Bayer B-186

    26. Clophedianol Hydrochloride

    27. Sk 74

    28. Einecs 208-124-9

    29. Clofedanol Hcl

    30. Unii-69qq58998y

    31. Coldrin (tn)

    32. Clofedanolhydrochlorid

    33. Alpha-(2-dimethylaminoethyl)-o-chlorobenzhydrol Hydrochloride

    34. 2-chloro-alpha-(2-(dimethylamino)ethyl)benzhydrol Hydrochloride

    35. 1-o-chlorophenyl-1-phenyl-3-dimethylamino-1-propanol Hydrochloride

    36. Benzenemethanol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-alpha-phenyl-, Hydrochloride

    37. Schembl157943

    38. Chembl1200972

    39. Chebi:31392

    40. Clofedanol Hydrochloride (jp17)

    41. Hy-a0161a

    42. Dtxsid30965375

    43. 2-chloro-alpha-[2-dimethylaminoethyl]benzhydrolhydrochloride

    44. Benzhydrol, 2-chloro-alpha-(2-(dimethylamino)ethyl)-, Hydrochloride

    45. Clofedanol Hydrochloride [jan]

    46. Chlophedianol Hydrochloride [mi]

    47. Clofedanol Hydrochloride [mart.]

    48. Clofedanol Hydrochloride [who-dd]

    49. Cs-0030933

    50. Ft-0665113

    51. 11c137

    52. D01389

    53. Chlophedianol Hydrochloride [orange Book]

    54. 511c137

    55. Q27264375

    56. 2-chloro-.alpha.-(2-(dimethylamino)ethyl)benzhydrol Hydrochloride

    57. Benzenemethanol, 2-chloro-.alpha.-(2-(dimethylamino)ethyl)-.alpha.-phenyl-, Hydrochloride

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 326.3 g/mol
    Molecular Formula C17H21Cl2NO
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass325.1000197 g/mol
    Monoisotopic Mass325.1000197 g/mol
    Topological Polar Surface Area23.5 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity291
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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