CAS 144809-28-9

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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

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 Formula	C₁₉H₁₈N₂O₃S
Molecular Weight	354.4 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	354.10381361 g/mol
Monoisotopic Mass	354.10381361 g/mol
Topological Polar Surface Area	93.6 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	515
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1