| CAS Number | 1049738-54-6 |
| Catalog Number | AG01EP7F(AGN-PC-00URDN) |
| Chemical Name | 3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylene]-2,4-thiazolidinedione,monohydrochloride |
| IUPAC Name | 3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride |
| InChI | InChI=1S/C14H16N2O3S.ClH/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12;/h3-6,9H,2,7-8,15H2,1H3;1H |
| InChI Key | PQVLWVGMXJPJLG-UHFFFAOYSA-N |
| MDL Number | MFCD09038681 |
| Molecular Formula | C14H17ClN2O3S |
| Molecular Weight | 328.8144 |
| SMILES | CCOC1=CC=C(/C=C2SC(N(CCN)C2=O)=O)C=C1.Cl |
| Synonyms | 1049738-54-6,
SCHEMBL15021964,
CTK8F9482,
3-(2-Aminoethyl)-5-((4-ethoxyphenyl)methylene)-2,4-thiazolidinedione hydrochloride,
3-(2-Aminoethyl)-5-((4-ethoxyphenyl)methylene)-2,4-thiazolidinedione hydrochloride, powder, >=98% (HPLC),
Erk Inhibitor,
PQVLWVGMXJPJLG-UHFFFAOYSA-N,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.811g/mol |
| Monoisotopic Mass | 328.065g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number