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3-5-Diiodothyropropionic Acid

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3 API Suppliers, 1 USDMF, 2 JDMF

3 API Suppliers
1 USDMF
2 JDMF

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Chemistry

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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

3-5-Diiodothyropropionic Acid

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 Formula	C₁₅H₁₂I₂O₄
Molecular Weight	510.06 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	509.88250 g/mol
Monoisotopic Mass	509.88250 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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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