| CAS Number | 222306-15-2 |
| Catalog Number | AG00C2ER(AGN-PC-0QYUXI) |
| Chemical Name | 5-Oxo Pitavastatin |
| IUPAC Name | (E,3R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3-hydroxy-5-oxohept-6-enoic acid |
| InChI | InChI=1S/C25H22FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,19,29H,5-6,13-14H2,(H,30,31)/b12-11+/t19-/m1/s1 |
| InChI Key | GSCOCVOFYBEZGB-TZZQJPOUSA-N |
| MDL Number | MFCD28138698 |
| Molecular Formula | C25H22FNO4 |
| Molecular Weight | 419.4449 |
| SMILES | C1(CC1)C1=NC2=CC=CC=C2C(=C1/C=C/C(C[C@H](CC(=O)O)O)=O)C1=CC=C(C=C1)F |
| Synonyms | 222306-15-2,
5-Oxo Pitavastatin,
Pitavastatin 5-Oxo Impurity,
SCHEMBL4022642,
SCHEMBL4022650,
ZINC67665315,
5-Oxo Pitavastatin Calcium,
Pitavastatin (5S)-Oxo Impurity,
|
| Complexity | 670 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 419.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.452g/mol |
| Monoisotopic Mass | 419.153g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number