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    2-Hydroxyflutamide

    DEVELOPMENTS

    PharmaCompass
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    2D Structure
    Also known as: 52806-53-8, 2-hydroxyflutamide, Hydroxyniphtholide, 2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)propanamide, Hydroxy-flutamide, 2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
    Molecular Formula
    C11H11F3N2O4
    Molecular Weight
    292.21  g/mol
    InChI Key
    YPQLFJODEKMJEF-UHFFFAOYSA-N
    FDA UNII
    31D90UKP5Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
    2.1.2 InChI
    InChI=1S/C11H11F3N2O4/c1-10(2,18)9(17)15-6-3-4-8(16(19)20)7(5-6)11(12,13)14/h3-5,18H,1-2H3,(H,15,17)
    2.1.3 InChI Key
    YPQLFJODEKMJEF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O
    2.2 Other Identifiers
    2.2.1 UNII
    31D90UKP5Y
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-hydroxyflutamide

    2. Oh-flutamide

    3. Sch 16423

    4. Sch-16423

    2.3.2 Depositor-Supplied Synonyms

    1. 52806-53-8

    2. 2-hydroxyflutamide

    3. Hydroxyniphtholide

    4. 2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)propanamide

    5. Hydroxy-flutamide

    6. 2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

    7. Sch 16423

    8. Hydroxy Flutamide

    9. 2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)-phenyl)propanamide

    10. .alpha.-hydroxyflutamide

    11. Chembl491

    12. Propanamide, 2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]-

    13. 31d90ukp5y

    14. 2-hydroxy-flutamide

    15. Oh-flutamide

    16. Propanamide, 2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)-

    17. Dsstox_cid_13562

    18. Dsstox_rid_79084

    19. Dsstox_gsid_33562

    20. Hft

    21. Hydroxyflutamid

    22. Liproca Depot

    23. 2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propanamide (2-hydroxyflutamide)

    24. Smr001227196

    25. Cas-52806-53-8

    26. Unii-31d90ukp5y

    27. 2-hydroxy Flutamide

    28. Mfcd00563126

    29. 2ax6

    30. Alpha,alpha,alpha-trifluoro-2-methyl-4'-nitro-m-lactotoluidide

    31. 2-hof

    32. Cid_91649

    33. Mls001061267

    34. Mls006011954

    35. Bidd:er0519

    36. Gtpl2862

    37. Schembl3079778

    38. Dtxsid8033562

    39. Schembl19117358

    40. Bdbm35909

    41. Hms3039a05

    42. Bcp12495

    43. Hydroxyflutamide, >=98% (hplc)

    44. Zinc4655055

    45. Tox21_201204

    46. Tox21_303659

    47. Hydroxyflutamide (hydroxyniphtholide)

    48. Akos007930906

    49. Cs-w013988

    50. Hy-w013272

    51. Sb17029

    52. S10360

    53. Ncgc00091014-01

    54. Ncgc00091014-02

    55. Ncgc00091014-03

    56. Ncgc00091014-04

    57. Ncgc00091014-06

    58. Ncgc00257382-01

    59. Ncgc00258756-01

    60. Bs-17460

    61. A1728

    62. Ft-0627147

    63. H1600

    64. A21118

    65. Q15633976

    66. 2-hydroxy-4'-nitro-3'-(trifluoromethyl)isobutyranilide

    67. Z1617901126

    68. 2-hydroxy-2-methyl-n-[4-nitro-3-(trifluoromethyl)phenyl]propionamide

    69. 2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide (hydroxy Flutamide)

    70. 2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide(hydroxyflutamide)

    71. 2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)propanamide; Hydroxyniphtholide

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 292.21 g/mol
    Molecular Formula C11H11F3N2O4
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass292.06709132 g/mol
    Monoisotopic Mass292.06709132 g/mol
    Topological Polar Surface Area95.2 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity392
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Androgen Antagonists

    Compounds which inhibit or antagonize the biosynthesis or actions of androgens. (See all compounds classified as Androgen Antagonists.)

    4.2 Metabolism/Metabolites

    2-hydroxy-flutamide is a known human metabolite of flutamide.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560