CAS 627502-58-3

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BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 6 Related Intermediates

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1 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 136401-69-9, (5z)-5-[[4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione, 6se873co82, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione, (z)-5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione, 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]-2-imino-4-thiazoldione

Molecular Formula

C₁₉H₁₈N₂O₃S

Molecular Weight

354.4 g/mol

InChI Key

YNTUJOCADSTMCL-BOPFTXTBSA-N

FDA UNII

6SE873CO82

1 2D Structure

CAS 627502-58-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5Z)-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-BOPFTXTBSA-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 Other Identifiers

2.2.1 UNII

6SE873CO82

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 136401-69-9

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

3. 6se873co82

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

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

6. 5-[4-[2-(5-ethyl-2-pyridyl)ethoxy]-2-imino-4-thiazoldione

7. (5z)-5-((4-(2-(5-ethylpyridin-2-yl)ethoxy)phenyl)methylene)thiazolidine-2,4-dione

8. 2,4-thiazolidinedione, 5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methylene)-, (5z)-

9. (5z)-didehydropioglitazone

10. Unii-6se873co82

11. Schembl2002766

12. Schembl2002770

13. 5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]-2,4-thiazolidinedione

14. Akos015964231

15. Ac-4718

16. As-13104

17. A3141

18. Pioglitazone Hydrochloride Specified Impurity B [ep]

19. Q27265442

20. Pioglitazone Hydrochloride Impurity B [ep Impurity]

21. Pioglitazone Hydrochloride Impurity, Didehydropioglitazone- [usp]

22. 5-[(z)-4-[2-(5-ethyl-2-pyridyl)ethoxy]benzylidene]thiazolidine-2,4-dione

23. (5e)-5-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzylidene]thiazolidine-2,4-dione

24. (e)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzylidene}thiazolidine- 2,4-dione

25. 2,4-thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylene]-

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

27. Pioglitazone Hydrochloride Impurity, Didehydropioglitazone- [usp Impurity]

28. 5-{4-[2-(5-ethyl-2-pyridinyl)ethoxyl]benzyldene}-2,4-thiazolidinedione;5-(4-(2-(5-ethylpyridin-2-yl)ethoxy)benzylidene)thiazolidine-2,4-dione

2.4 Create Date

2006-10-26

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	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	93.6
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