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    Dextrothyroxine

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dextrothyroxine sodium, Dextrothyroxine sodium hydrate, 7054-08-2, 0h00n2ahsp, D-thyroxine sodium salt, Dextrothyroxine sodium (usan)
    Molecular Formula
    C15H12I4NNaO5
    Molecular Weight
    816.87  g/mol
    InChI Key
    ANMYAHDLKVNJJO-CURYUGHLSA-M
    FDA UNII
    0H00N2AHSP
    The dextrorotary isomer of the synthetic THYROXINE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrate
    2.1.2 InChI
    InChI=1S/C15H11I4NO4.Na.H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;1H2/q;+1;/p-1/t12-;;/m1../s1
    2.1.3 InChI Key
    ANMYAHDLKVNJJO-CURYUGHLSA-M
    2.1.4 Canonical SMILES
    C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.O.[Na+]
    2.1.5 Isomeric SMILES
    C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@H](C(=O)[O-])N.O.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    0H00N2AHSP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Choloxin

    2. D Thyroxine

    3. D-t4 Thyroid Hormone

    4. D-thyroxine

    5. Dextrothyroxine

    6. Dextrothyroxine Sodium

    7. Sodium Dextrothyroxine

    2.3.2 Depositor-Supplied Synonyms

    1. Dextrothyroxine Sodium

    2. Dextrothyroxine Sodium Hydrate

    3. 7054-08-2

    4. 0h00n2ahsp

    5. D-thyroxine Sodium Salt

    6. Dextrothyroxine Sodium (usan)

    7. Dextrothyroxine Sodium [usan]

    8. Anhydrous Dextrothyroxine Sodium

    9. Sodium;(2r)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate;hydrate

    10. Choloxin (tn)

    11. Unii-0h00n2ahsp

    12. Schembl7112166

    13. Chembl3545058

    14. Dtxsid60220803

    15. Dextrothyroxine Sodium [vandf]

    16. Dextrothyroxine Sodium [mart.]

    17. D-tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, Monosodium Salt Hydrate

    18. Dextrothyroxine Sodium [usan:usp:inn]

    19. Dextrothyroxine Sodium [orange Book]

    20. Dextrothyroxine Sodium Hydrate [mart.]

    21. D03750

    22. Thyroxine, Monosodium Salt, Hydrate, D-

    23. Q27236769

    24. D-tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, Monosodium Salt, Hydrate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 816.87 g/mol
    Molecular Formula C15H12I4NNaO5
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass816.6792 g/mol
    Monoisotopic Mass816.6792 g/mol
    Topological Polar Surface Area96.6 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity426
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3