| CAS Number | 565453-39-6 |
| Catalog Number | AG00EL7U(AGN-PC-0OCEAD) |
| Chemical Name | Vildagliptin iMpurity K |
| IUPAC Name | 1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carboxamide |
| InChI | InChI=1S/C17H27N3O3/c18-15(22)13-2-1-3-20(13)14(21)9-19-16-5-11-4-12(6-16)8-17(23,7-11)10-16/h11-13,19,23H,1-10H2,(H2,18,22)/t11-,12+,13?,16?,17? |
| InChI Key | IUJJPEBUSBVYIP-VHDAAVTISA-N |
| MDL Number | MFCD30541494 |
| Molecular Formula | C17H27N3O3 |
| Molecular Weight | 321.4146 |
| SMILES | O=C(N)[C@H]1N(C(CNC2(C3)CC4(O)CC3CC(C4)C2)=O)CCC1 |
| Synonyms | ACN-027557,
L-Prolinamide, N-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)glycyl-,
565453-39-6,
|
| Complexity | 521 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.421g/mol |
| Monoisotopic Mass | 321.205g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 95.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number