| CAS Number | 1422619-13-3 |
| Catalog Number | AG001I2R(AGN-PC-0WBM5D) |
| Chemical Name | (3R,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoic acid |
| IUPAC Name | (E,3R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3-hydroxy-5-oxohept-6-enoic acid |
| InChI | InChI=1S/C22H26FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,17,28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t17-/m1/s1 |
| InChI Key | SGVASDMKSZUTTN-OAGJVSPASA-N |
| MDL Number | MFCD18382415 |
| Molecular Formula | C22H26FN3O6S |
| Molecular Weight | 479.5217 |
| SMILES | FC1=CC=C(C=C1)C1=NC(=NC(=C1/C=C/C(C[C@H](CC(=O)O)O)=O)C(C)C)N(S(=O)(=O)C)C |
| Synonyms | 5-Oxo Rosuvastatin,
1422619-13-3,
(R,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3-hydroxy-5-oxohept-6-enoic acid,
5-Oxorosuvastatin,
3-Hydroxy-5-keto Rosuvastatin,
SCHEMBL1419445,
SCHEMBL1419446,
ZINC44136575,
ACN-026588,
(3R,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-6-heptenoic Acid,
(E,3R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3-hydroxy-5-oxohept-6-enoic acid,
6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3-hydroxy-5-oxo-, (3R,6E)-,
Rosuvastatin EP Impurity C,
CS-O-31236,
|
| Complexity | 807 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 479.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 479.523g/mol |
| Monoisotopic Mass | 479.153g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number