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199113-98-9

199113-98-9 | 2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl]-

CAS No: 199113-98-9 Catalog No: AG002BWK MDL No:MFCD09837808

Product Description

Catalog Number:
AG002BWK
Chemical Name:
2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-3-methyl-4-oxo-2-quinazolinyl)methoxy]phenyl]methyl]-
CAS Number:
199113-98-9
Molecular Formula:
C20H17N3O4S
Molecular Weight:
395.4317
MDL Number:
MFCD09837808
IUPAC Name:
5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
InChI Key:
IETKPTYAGKZLKY-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCc1nc2ccccc2c(=O)n1C

Properties

Complexity:
674  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.094g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
395.433g/mol
Monoisotopic Mass:
395.094g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Literature

Title Journal
Balaglitazone: a second generation peroxisome proliferator-activated receptor (PPAR) gamma (γ) agonist. Mini reviews in medicinal chemistry 20120201
Efficacy and safety of the PPARγ partial agonist balaglitazone compared with pioglitazone and placebo: a phase III, randomized, parallel-group study in patients with type 2 diabetes on stable insulin therapy. Diabetes/metabolism research and reviews 20110501
A comparison of glycemic control, water retention, and musculoskeletal effects of balaglitazone and pioglitazone in diet-induced obese rats. European journal of pharmacology 20090815
Dissociation of antihyperglycaemic and adverse effects of partial perioxisome proliferator-activated receptor (PPAR-gamma) agonist balaglitazone. European journal of pharmacology 20081031
Generic, highly selective and robust capillary electrophoresis method for separation of a racemic mixture of glitazone compounds. Journal of chromatography. A 20040917

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