5-[[4(2-(3-methyl-2-pyridinyl)ethoxy)phenyl]methyl]-2,4-Thiazolidinedion - CAS 105355-33-7
Catalog: |
BB059589 |
Product Name: |
5-[[4(2-(3-methyl-2-pyridinyl)ethoxy)phenyl]methyl]-2,4-Thiazolidinedion |
CAS: |
105355-33-7 |
Synonyms: |
5-[[4-[2-(3-METHYL-2-PYRIDINYL)ETHOXY]PHENYL] METHYL]-2,4-THIAZOLIDINEDIONE; 5-[[4-[2-(3-methylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
IUPAC Name: | 5-[[4-[2-(3-methylpyridin-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione |
Description: | 5-(4-(2-(3-Methylpyridin-2-yl)ethoxy)benzyl)thiazolidine-2,4-dione is used in the synthesis of 5-[4-(pyridylalkoxy)benzyl]-2,4-thiazolidinedione derivatives as antidiabetic agents, such as Pioglitazone (P471000). |
Molecular Weight: | 342.41 |
Molecular Formula: | C18H18N2O3S |
Canonical SMILES: | CC1=C(N=CC=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3 |
InChI: | InChI=1S/C18H18N2O3S/c1-12-3-2-9-19-15(12)8-10-23-14-6-4-13(5-7-14)11-16-17(21)20-18(22)24-16/h2-7,9,16H,8,10-11H2,1H3,(H,20,21,22) |
InChI Key: | UFIIPYBZDKGWEI-UHFFFAOYSA-N |
References: | Sohda, T., et. al. Arzneimittel-Forschung, 40, 37 (1990). |
Complexity: | 452 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 342.10381361 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 342.10381361 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 93.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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