Also known as: 1133819-87-0, Msdc-0602, Msdc 0602, Azemiglitazone, 81mxz6qobm, Chembl4291468

Molecular Formula

C₁₉H₁₇NO₅S

Molecular Weight

371.4 g/mol

InChI Key

YAUMOGALQJYOJQ-UHFFFAOYSA-N

FDA UNII

81MXZ6QOBM

Azemiglitazone is under investigation in clinical trial NCT01280695 (A Randomized, Double-blind, Comparator- and Placebo-controlled, Multiple-dose Study to Evaluate the Safety, Tolerability and Efficacy of Three Dose Levels of MSDC-0602 in Type 2 Diabetic Patients).

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

2.1.2 InChI

InChI=1S/C19H17NO5S/c1-24-15-4-2-3-13(10-15)16(21)11-25-14-7-5-12(6-8-14)9-17-18(22)20-19(23)26-17/h2-8,10,17H,9,11H2,1H3,(H,20,22,23)

2.1.3 InChI Key

YAUMOGALQJYOJQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=CC(=C1)C(=O)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

2.2 Other Identifiers

2.2.1 UNII

81MXZ6QOBM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Msdc-0602

2.3.2 Depositor-Supplied Synonyms

1. 1133819-87-0

2. Msdc-0602

3. Msdc 0602

4. Azemiglitazone

5. 81mxz6qobm

6. Chembl4291468

7. 2,4-thiazolidinedione, 5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-

8. Unii-81mxz6qobm

9. 5-{4-[2-(3-methoxyphenyl)-2-oxoethoxy]benzyl}-1,3-thiazolidine-2,4-dione

10. 5-(4-(2-(3-methoxyphenyl)-2-oxoethoxy)benzyl)-1,3-thiazolidine-2,4-dione

11. Azemiglitazone [inn]

12. Schembl623654

13. Azemiglitazone [who-dd]

14. Bcp33206

15. Ex-a5498

16. Bdbm50466687

17. Akos027382993

18. As-56058

19. Azemiglitazone;msdc-0602; Msdc0602

20. Db-090848

21. Hy-108022

22. Cs-0027173

23. N17076

24. Q27269255

25. (+/-)-5-(4-(2-(3-methoxyphenyl)-2-oxoethoxy)benzyl)-1,3-thiazolidine-2,4-dione

26. 5-[[4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

2.4 Create Date

2009-05-04

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₇NO₅S
Molecular Weight	371.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	371.08274382 g/mol
Monoisotopic Mass	371.08274382 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	532
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

MSDC 0602

MSDC 0602

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