| CAS Number | 2070009-58-2 |
| Catalog Number | AG01EO7B(AGN-PC-3H468O) |
| Chemical Name | Ravoxertinib hydrochloride |
| IUPAC Name | 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one;hydrochloride |
| InChI | InChI=1S/C21H18ClFN6O2.ClH/c1-28-19(5-8-25-28)27-21-24-7-4-17(26-21)13-6-9-29(20(31)11-13)18(12-30)14-2-3-15(22)16(23)10-14;/h2-11,18,30H,12H2,1H3,(H,24,26,27);1H/t18-;/m1./s1 |
| InChI Key | RMNVBUVHPAETTJ-GMUIIQOCSA-N |
| MDL Number | MFCD29472257 |
| Molecular Formula | C21H19Cl2FN6O2 |
| Molecular Weight | 477.3190 |
| SMILES | C1(=O)N([C@@H](C2=CC=C(Cl)C(F)=C2)CO)C=CC(C2C=CN=C(NC3N(C)N=CC=3)N=2)=C1.Cl[H] |
| Synonyms | Ravoxertinib hydrochloride,
GDC-0994 hydrochloride,
2070009-58-2,
GDC 0994 hydrochloride,
GDC-0994 (hydrochloride),
GDC-0994 HCl,
BCP20235,
HY-15947A,
CS-5092,
|
| Complexity | 709 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 476.093057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 477.3g/mol |
| Monoisotopic Mass | 476.093057g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 96.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number