loader
Please Wait
Applying Filters...

Metrochem API Private Limited Metrochem API Private Limited

X

Technical details about Dextrothyroxine, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
1. 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
Post Enquiry
POST ENQUIRY