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    Benfluorex

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 23642-66-2, Benfluorex hcl, Lipophoral, Balans, Benfluorex (hydrochloride), Mediaxal
    Molecular Formula
    C19H21ClF3NO2
    Molecular Weight
    387.8  g/mol
    InChI Key
    NLOALSPYZIIXEO-UHFFFAOYSA-N
    FDA UNII
    X7O165XZ00
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl benzoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H
    2.1.3 InChI Key
    NLOALSPYZIIXEO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    X7O165XZ00
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-trifluoromethylphenyl)-2-(benzoyloxyethyl)aminopropane Hcl

    2. 780 Se

    3. Benfluorex

    4. Benfluorex Hydrochloride, (+-)-isomer

    5. Benfluorex Maleate

    6. Benfluorex, Methanesulfonate Salt

    7. Benfluramate

    8. Jp 992

    9. S 780

    10. Se 780

    2.3.2 Depositor-Supplied Synonyms

    1. 23642-66-2

    2. Benfluorex Hcl

    3. Lipophoral

    4. Balans

    5. Benfluorex (hydrochloride)

    6. Mediaxal

    7. 2-((1-(3-(trifluoromethyl)phenyl)propan-2-yl)amino)ethyl Benzoate Hydrochloride

    8. Jp-992 (hydrochloride)

    9. X7o165xz00

    10. Ncgc00094832-01

    11. 2-(-methyl-3-(trifluoromethyl)phenethylamino)ethyl Benzoate Hydrochloride

    12. Jp 992

    13. 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl Benzoate Hydrochloride

    14. 2-{(1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethyl Benzoate Hydrochloride

    15. Dsstox_cid_25854

    16. Dsstox_rid_81175

    17. Dsstox_gsid_45854

    18. 2-((alpha-methyl-m-(trifluoromethyl)phenethyl)amino)ethanol Benzoate (ester)

    19. 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl Benzoate;hydrochloride

    20. 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl Benzoate Hydrochloride

    21. Ethanol, 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-, 1-benzoate, Hydrochloride (1:1)

    22. Sr-01000838831

    23. Einecs 245-801-8

    24. Unii-x7o165xz00

    25. 2-((1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl)amino)ethyl Benzoate Hydrochloride

    26. Mediator (tn)

    27. Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, 1-benzoate, Hydrochloride (1:1)

    28. Prestwick_911

    29. Einecs 245-020-2

    30. 2-(alpha-methyl-3-(trifluoromethyl)phenylethylamino)ethyl Benzoat

    31. Cas-23642-66-2

    32. Mls002153789

    33. Schembl467300

    34. Spectrum1500669

    35. Chembl1412305

    36. Dtxsid8045854

    37. Hms1569i15

    38. Hms1921a14

    39. Pharmakon1600-01500669

    40. Amy33324

    41. Hy-b1058

    42. Tox21_111343

    43. Benfluorex Hydrochloride [mi]

    44. Ccg-39155

    45. Mfcd00058493

    46. Nsc757396

    47. Akos015994754

    48. Tox21_111343_1

    49. Cs-4580

    50. Ss-4205

    51. (1)-2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl Benzoate Hydrochloride

    52. Benfluorex Hydrochloride [mart.]

    53. Ethanol, 2-((alpha-methyl-m-(trifluoromethyl)phenethyl)amino)-, Benzoate (ester), Hcl

    54. Benfluorex Hydrochloride [who-dd]

    55. Ncgc00094832-02

    56. Ncgc00178369-05

    57. Ethanol, 2-((1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, Benzoate (ester), Hydrochloride

    58. Smr001233170

    59. Db-046210

    60. Benfluorex Hydrochloride, Analytical Standard

    61. Ft-0602882

    62. Benfluorex Hydrochloride [ep Impurity]

    63. D07508

    64. D86322

    65. Sr-01000838831-3

    66. Sr-01000838831-4

    67. W-110575

    68. Q27293648

    69. 2-({1-[3-(trifluoromethyl)phenyl]prop-2-yl}amino)ethylbenzoate Hydrochloride

    70. 2-(1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl Benzoate Hydrochloride

    71. 2-(alpha-methyl-3-(trifluoromethyl)phenylethylamino)ethyl Benzoate Hydrochloride

    72. 2-{(1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl}amino)ethylbenzoate Hydrochloride

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 387.8 g/mol
    Molecular Formula C19H21ClF3NO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass387.1212911 g/mol
    Monoisotopic Mass387.1212911 g/mol
    Topological Polar Surface Area38.3 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity408
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Appetite Depressants

    Agents that are used to suppress appetite. (See all compounds classified as Appetite Depressants.)

    Hypolipidemic Agents

    Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS. (See all compounds classified as Hypolipidemic Agents.)