| CAS Number | 1215085-93-0 |
| Catalog Number | AG009CI1 |
| Chemical Name | GLPG0492 R-Enantiomer |
| IUPAC Name | 4-[(4R)-4-(hydroxymethyl)-3-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C19H14F3N3O3/c1-24-17(28)25(14-8-7-12(10-23)15(9-14)19(20,21)22)16(27)18(24,11-26)13-5-3-2-4-6-13/h2-9,26H,11H2,1H3/t18-/m0/s1 |
| InChI Key | VAJGULUVTFDTAS-SFHVURJKSA-N |
| MDL Number | MFCD28900698 |
| Molecular Formula | C19H14F3N3O3 |
| Molecular Weight | 389.3280 |
| SMILES | C(#N)C1=CC=C(N2C(=O)N(C)[C@](C3=CC=CC=C3)(CO)C2=O)C=C1C(F)(F)F |
| Synonyms | GLPG0492 (R enantiomer),
1215085-93-0,
GLPG0492 R-Enantiomer,
GLPG-0492 R enantiomer,
SCHEMBL2024404,
CHEMBL2178101,
HY-18102A,
ZINC95574458,
AKOS030526326,
NCGC00485913-01,
UNII-8O59X1ACZT component VAJGULUVTFDTAS-SFHVURJKSA-N,
GLPG0492 R enantiomer,
CS-4050,
|
| Complexity | 683 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.334g/mol |
| Monoisotopic Mass | 389.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number