| CAS Number | 1714147-50-8 |
| Catalog Number | AG00AR0Z(AGN-PC-0WH329) |
| Chemical Name | S-Desmethyl-S-(2-hydroxy-2-methylpropyl) Rosuvastatin Sodium Salt |
| IUPAC Name | sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)sulfonyl-methylamino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate |
| InChI | InChI=1S/C25H34FN3O7S.Na/c1-15(2)22-20(11-10-18(30)12-19(31)13-21(32)33)23(16-6-8-17(26)9-7-16)28-24(27-22)29(5)37(35,36)14-25(3,4)34;/h6-11,15,18-19,30-31,34H,12-14H2,1-5H3,(H,32,33);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1 |
| InChI Key | SAJBJIWJMPHQAY-QKPRLWPNSA-M |
| Molecular Formula | C25H33FN3NaO7S |
| Molecular Weight | 561.5986 |
| SMILES | [Na+].CC(C)c1nc(nc(c2ccc(F)cc2)c1C=C[C@@H](O)C[C@@H](O)CC(=O)[O-])N(C)S(=O)(=O)CC(C)(C)O |
| Synonyms | Rosuvastatin EP Impurity A (Acetone-adduct); Rosuvastatin Related compound A,
1714147-50-8,
S-Desmethyl-S-(2-hydroxy-2-methylpropyl) Rosuvastatin Sodium Salt ;(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl[(2-hydroxy-2-methylpropyl)sulfonyl]amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid Sodium Salt; Rosuvastatin EP Impurity A,
|
| Complexity | 879 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 561.192094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 561.6g/mol |
| Monoisotopic Mass | 561.192094g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 172Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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