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Also known as: 144809-28-9, 136401-70-2, 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione, 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione, (e)-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione, 5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene}-thiazolidine-2,4-dione
Molecular Formula
C19H18N2O3S
Molecular Weight
354.4  g/mol
InChI Key
YNTUJOCADSTMCL-GZTJUZNOSA-N

CAS 144809-28-9
1 2D Structure

CAS 144809-28-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5E)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
2.1.2 InChI
InChI=1S/C19H18N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,11-12H,2,9-10H2,1H3,(H,21,22,23)/b17-11+
2.1.3 InChI Key
YNTUJOCADSTMCL-GZTJUZNOSA-N
2.1.4 Canonical SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)C=C3C(=O)NC(=O)S3
2.1.5 Isomeric SMILES
CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)/C=C/3\C(=O)NC(=O)S3
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Delta2-pioglitazone

2.2.2 Depositor-Supplied Synonyms

1. 144809-28-9

2. 136401-70-2

3. 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione

4. 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione

5. (e)-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione

6. 5-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene}-thiazolidine-2,4-dione

7. (5e)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

8. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-methylene]-2,4-thiazolidinedione(pioglitazone Impurity)

9. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-methylene]-2,4-thiazolidinedione

10. 5-[4-[2-(5-ethylpyridin-2-yl)ethoxy]benzylidene]thiazolidine-2,4-dione

11. 5-(4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene)-2,4-thiazolidinedione

12. 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene]-2,4-thiazolidinedione

13. 5-(4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene)-thiazolidine-2,4-dione

14. 5-[4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-benzylidene]-thiazolidine-2,4-dione

15. Pioglitazone Ep Impurity B

16. Schembl1162295

17. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-2,4-thiazolidinedione

18. Act04261

19. Mfcd06411145

20. Zinc16696707

21. Akos015895595

22. Ac-2054

23. Cs-0172219

24. 401e702

25. J-516614

26. 5-(4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzyldene)-2,4-thiazolidinedione

27. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione]

28. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]benzylidene]thiazolidine-2,4-dione

29. 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}- 2,4-thiazolidinedione

30. 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, Didehydro

31. 5-[(e)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-2,4-thiazolidinedione

32. 5-[[4-[2-(5-ethyl-2-pyridinyl) Ethoxy]phenyl] Methylene]2,4-thiazolidinedione

33. 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]2,4-thiazolidinedione

34. 5-[1-{4-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-phenyl}-meth-(e)-ylidene]-thiazolidine-2,4-dione

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 354.4 g/mol
Molecular Formula C19H18N2O3S
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass354.10381361 g/mol
Monoisotopic Mass354.10381361 g/mol
Topological Polar Surface Area93.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity515
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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