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74772-78-4 | 5-(4-Hydroxybenzyl);thiazolidine-2,4-dione
CAS No: 74772-78-4 Catalog No: AG003M5Z MDL No:MFCD00754499
Product Description
Catalog Number:
AG003M5Z
Chemical Name:
5-(4-Hydroxybenzyl);thiazolidine-2,4-dione
CAS Number:
74772-78-4
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
MDL Number:
MFCD00754499
IUPAC Name:
5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C10H9NO3S/c12-7-3-1-6(2-4-7)5-8-9(13)11-10(14)15-8/h1-4,8,12H,5H2,(H,11,13,14)
InChI Key:
NKOHRVBBQISBSB-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)SC1Cc1ccc(cc1)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Chemical proteomics-based analysis of off-target binding profiles for rosiglitazone and pioglitazone: clues for assessing potential for cardiotoxicity. | Journal of medicinal chemistry 20121011 |
| A novel binding assay identifies high affinity ligands to the rosiglitazone binding site of mitoNEET. | Bioorganic & medicinal chemistry letters 20110915 |
| Structure-activity relationship and docking studies of thiazolidinedione-type compounds with monoamine oxidase B. | Bioorganic & medicinal chemistry letters 20110815 |
| Structure-activity requirements for the antiproliferative effect of troglitazone derivatives mediated by depletion of intracellular calcium. | Bioorganic & medicinal chemistry letters 20040517 |
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