| CAS Number | 1617495-03-0 |
| Catalog Number | AG01EODZ(AGN-PC-0WNHDX) |
| Chemical Name | RA190 |
| IUPAC Name | 1-(2-amino-3-phenylpropanoyl)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one;hydrochloride |
| InChI | InChI=1S/C28H22Cl4N2O2.ClH/c29-22-8-6-18(12-24(22)31)10-20-15-34(28(36)26(33)14-17-4-2-1-3-5-17)16-21(27(20)35)11-19-7-9-23(30)25(32)13-19;/h1-13,26H,14-16,33H2;1H |
| InChI Key | UMWXLEVUBFNYIK-UHFFFAOYSA-N |
| MDL Number | MFCD30738021 |
| Molecular Formula | C28H23Cl5N2O2 |
| Molecular Weight | 596.7594 |
| SMILES | Cl.N[C@@H](CC1=CC=CC=C1)C(=O)N1CC(C(C(C1)=CC1=CC(=C(C=C1)Cl)Cl)=O)=CC1=CC(=C(C=C1)Cl)Cl |
| Synonyms | 3,5-bis(3,4-dichlorobenzylidene)-1-(S-2-amino-3-phenyl)-piperidin-4-one, HCl,
RA190,
RA190,
1617495-03-0,
|
| Complexity | 809 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 596.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 596.754g/mol |
| Monoisotopic Mass | 594.02g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number