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    3-5-Diiodothyropropionic Acid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1158-10-7, Ditpa, 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid, 3,5-ditpa, Benzenepropanoic acid, 4-(4-hydroxyphenoxy)-3,5-diiodo-, 3 5-diiodothyropropionic acid
    Molecular Formula
    C15H12I2O4
    Molecular Weight
    510.06  g/mol
    InChI Key
    WONYMNWUJVKVII-UHFFFAOYSA-N
    FDA UNII
    1HTO2X0SJ9
    DITPA has been investigated in Congestive Heart Failure.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
    2.1.2 InChI
    InChI=1S/C15H12I2O4/c16-12-7-9(1-6-14(19)20)8-13(17)15(12)21-11-4-2-10(18)3-5-11/h2-5,7-8,18H,1,6H2,(H,19,20)
    2.1.3 InChI Key
    WONYMNWUJVKVII-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1O)OC2=C(C=C(C=C2I)CCC(=O)O)I
    2.2 Other Identifiers
    2.2.1 UNII
    1HTO2X0SJ9
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3,5-ditpa

    2. Ditpa Cpd

    2.3.2 Depositor-Supplied Synonyms

    1. 1158-10-7

    2. Ditpa

    3. 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic Acid

    4. 3,5-ditpa

    5. Benzenepropanoic Acid, 4-(4-hydroxyphenoxy)-3,5-diiodo-

    6. 3 5-diiodothyropropionic Acid

    7. 1hto2x0sj9

    8. Chembl2348292

    9. 3,5-diiodo-4-(4-hydroxyphenoxy)hydrocinnamic Acid

    10. Dipta

    11. 3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoic Acid

    12. Dipro

    13. Unii-1hto2x0sj9

    14. Diiodothyropropionic-acid

    15. 3,5-diiodothyropropanoic Acid

    16. Schembl1501771

    17. Benzenepropanoic Acid,4-(4-hydroxyphenoxy)-3,5-diiodo-

    18. Dtxsid8040939

    19. Chebi:134267

    20. Zinc3972069

    21. Bdbm50431457

    22. Akos005174585

    23. Db12629

    24. Hy-126236

    25. Bb 0266169

    26. Cs-0100519

    27. J-003326

    28. Q27252433

    29. 3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoicacid

    30. 3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propionic Acid

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 510.06 g/mol
    Molecular Formula C15H12I2O4
    XLogP34.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass509.88250 g/mol
    Monoisotopic Mass509.88250 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity333
    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

    Hormones

    Chemical substances having a specific regulatory effect on the activity of a certain organ or organs. The term was originally applied to substances secreted by various ENDOCRINE GLANDS and transported in the bloodstream to the target organs. It is sometimes extended to include those substances that are not produced by the endocrine glands but that have similar effects. (See all compounds classified as Hormones.)