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    3,5-Dibromo-L-Tyrosine

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

    PharmaCompass
    $ API Ref.Price (USD/KG) : 3,897Xls

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    2D Structure
    Also known as: 300-38-9, Dibromotyrosine, H-tyr(3,5-dibr)-oh, 3,5-dibromotyrosine, Dibry, 3,5 dibromotyrosine
    Molecular Formula
    C9H9Br2NO3
    Molecular Weight
    338.98  g/mol
    InChI Key
    COESHZUDRKCEPA-ZETCQYMHSA-N
    FDA UNII
    QD49LEP46E
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid
    2.1.2 InChI
    InChI=1S/C9H9Br2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1
    2.1.3 InChI Key
    COESHZUDRKCEPA-ZETCQYMHSA-N
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    QD49LEP46E
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,5-dibromotyrosine

    2. 3,5-dibromotyrosine, (l)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 300-38-9

    2. Dibromotyrosine

    3. H-tyr(3,5-dibr)-oh

    4. 3,5-dibromotyrosine

    5. Dibry

    6. 3,5 Dibromotyrosine

    7. Biotiren

    8. Bromotiren

    9. L-tyrosine, 3,5-dibromo-

    10. (s)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic Acid

    11. (2s)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic Acid

    12. Dibromotirina

    13. Chebi:28335

    14. Nsc 210786

    15. Qd49lep46e

    16. Tyrosine, 3,5-dibromo-, L-

    17. Nsc-210786

    18. Unii-qd49lep46e

    19. H-tyr(3,5-br2)-oh

    20. Bromotiren (tn)

    21. Einecs 206-091-5

    22. .beta.-(3,5-dibromo-4-hydroxyphenyl)alanine

    23. Beta-(3,5-dibromo-4-hydroxyphenyl)alanine

    24. 3,5-dibromo-1-tyrosine

    25. Epitope Id:122958

    26. Ncistruc1_001842

    27. Ncistruc2_001476

    28. Mls000069536

    29. Schembl145219

    30. Dibromotyrosine [mart.]

    31. Chembl1232132

    32. Dibromotyrosine [who-dd]

    33. Zinc57299

    34. Dtxsid401015579

    35. Hms2234d11

    36. H-tyr(3,5-br2)-oh.nh2o

    37. Ccg-36649

    38. Mfcd00037204

    39. Ncgc00014584

    40. Nci210786

    41. 3,5-dibromo-4-hydroxyphenylalanine #

    42. Akos015907823

    43. 3,5-dibromo-l-tyrosine [mi]

    44. Am83553

    45. Db07637

    46. Hy-w105101

    47. Ncgc00014584-02

    48. Ncgc00097688-01

    49. As-57041

    50. Smr000058595

    51. Db-022010

    52. Cs-0157743

    53. D0213

    54. Vu0285634-2

    55. 3,5-dibromo-l-tyrosine Monohydrate (salt/mix)

    56. C03224

    57. D-1700

    58. D08659

    59. D89615

    60. 300t389

    61. A820156

    62. Q3706879

    63. Dby

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 338.98 g/mol
    Molecular Formula C9H9Br2NO3
    XLogP3-0.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass338.89287 g/mol
    Monoisotopic Mass336.89492 g/mol
    Topological Polar Surface Area83.6 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    H - Systemic hormonal preparations, excl. sex hormones and insulins

    H03 - Thyroid therapy

    H03B - Antithyroid preparations

    H03BX - Other antithyroid preparations

    H03BX02 - Dibromotyrosine