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Technical details about 3-5-Diiodothyropropionic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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.)


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