| CAS Number | 1318777-54-6 |
| Catalog Number | AG009FPO(AGN-PC-0WH4K7) |
| Chemical Name | O-Acetyl Lacosamide |
| IUPAC Name | [(2R)-2-acetamido-3-(benzylamino)-3-oxopropyl] acetate |
| InChI | InChI=1S/C14H18N2O4/c1-10(17)16-13(9-20-11(2)18)14(19)15-8-12-6-4-3-5-7-12/h3-7,13H,8-9H2,1-2H3,(H,15,19)(H,16,17)/t13-/m1/s1 |
| InChI Key | KQGUKRMTHAVMFN-CYBMUJFWSA-N |
| MDL Number | MFCD24386423 |
| Molecular Formula | C14H18N2O4 |
| Molecular Weight | 278.3037 |
| SMILES | CC(=O)N[C@H](COC(=O)C)C(=O)NCc1ccccc1 |
| Synonyms | O-Acetyl Lacosamide,
1318777-54-6,
SCHEMBL2318842,
CS-T-00903,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.308g/mol |
| Monoisotopic Mass | 278.127g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number