| CAS Number | 229970-68-7 |
| Catalog Number | AG00C2VO(AGN-PC-0WBNP8) |
| Chemical Name | N-Acetyl N-Descarboxyethyl Retigabine |
| IUPAC Name | N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]acetamide |
| InChI | InChI=1S/C15H16FN3O/c1-10(20)19-15-7-6-13(8-14(15)17)18-9-11-2-4-12(16)5-3-11/h2-8,18H,9,17H2,1H3,(H,19,20) |
| InChI Key | YGNSHYRMOVKKSL-UHFFFAOYSA-N |
| MDL Number | MFCD19705069 |
| Molecular Formula | C15H16FN3O |
| Molecular Weight | 273.3054 |
| SMILES | CC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N |
| Synonyms | N-ACETYL-RETIGABINE,
SCHEMBL3896624,
AWD-21-360,
229970-68-7,
N-Acetylretigabine solution, 100 mug/mL in acetonitrile, ampule of 1 mL, certified reference material,
CID10107340,
N-[2-amino-4-[(4-fluorophenyl)methylamino]phenyl]acetamide,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.311g/mol |
| Monoisotopic Mass | 273.128g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number