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103788-05-2 | 2,4-Thiazolidinedione,5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-
CAS No: 103788-05-2 Catalog No: AG007X4D MDL No:
Product Description
Catalog Number:
AG007X4D
Chemical Name:
2,4-Thiazolidinedione,5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]-
CAS Number:
103788-05-2
Molecular Formula:
C22H20N2O5S
Molecular Weight:
424.4696
IUPAC Name:
5-[[4-[2-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C22H20N2O5S/c1-13-19(23-21(29-13)15-5-3-2-4-6-15)17(25)12-28-16-9-7-14(8-10-16)11-18-20(26)24-22(27)30-18/h2-10,17-18,25H,11-12H2,1H3,(H,24,26,27)
InChI Key:
YVQKIDLSVHRBGZ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCC(c1nc(oc1C)c1ccccc1)O
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.109g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.471g/mol
Monoisotopic Mass:
424.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Distinct properties and advantages of a novel peroxisome proliferator-activated protein [gamma] selective modulator. | Molecular endocrinology (Baltimore, Md.) 20030401 |
| Novel peroxisome proliferator-activated receptor (PPAR) gamma and PPARdelta ligands produce distinct biological effects. | The Journal of biological chemistry 19990305 |
| Thiazolidinediones produce a conformational change in peroxisomal proliferator-activated receptor-gamma: binding and activation correlate with antidiabetic actions in db/db mice. | Endocrinology 19961001 |
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