| CAS Number | 478792-19-7 |
| Catalog Number | AG019H35 |
| Chemical Name | 3-(2-aminoethyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride |
| IUPAC Name | (5E)-3-(2-aminoethyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione;hydrochloride |
| InChI | InChI=1S/C15H18N2O5S.ClH/c1-20-10-6-9(7-11(21-2)13(10)22-3)8-12-14(18)17(5-4-16)15(19)23-12;/h6-8H,4-5,16H2,1-3H3;1H/b12-8+; |
| InChI Key | PMQBTKJPBIACTH-MXZHIVQLSA-N |
| MDL Number | MFCD08445258 |
| Molecular Formula | C15H19ClN2O5S |
| Molecular Weight | 374.8398 |
| SMILES | Cl.COC1=C(OC)C(OC)=CC(C=C2C(=O)N(CCN)C(=O)S2)=C1 |
| Synonyms | EN300-02391,
(5E)-3-(2-aminoethyl)-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidine-2,4-dione hydrochloride,
(5E)-3-(2-aminoethyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione hydrochloride,
478792-19-7,
AC1Q3C19,
NE13908,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 374.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 374.836g/mol |
| Monoisotopic Mass | 374.07g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 116A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number