Rosuvastatin
(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular Identity
Rosuvastatin
(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
PubChem CID: 446157
Rosuvastatin is a dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). It has a role as an antilipemic drug, a xenobiotic, a CETP inhibitor, an anti-inflammatory agent, a cardioprotective agent and an environmental contaminant. It is a sulfonamide, a dihydroxy monocarboxylic acid, a member of pyrimidines, a member of monofluorobenzenes and a statin (synthetic). It is functionally related to a hept-6-enoic acid. It is a conjugate acid of a rosuvastatin(1-).
2D Structure
Properties
C22H28FN3O6S
Molecular Formula
481.50
Molecular Weight
g/mol
481.1683
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
149
TPSA
May have limited oral absorption
3
H-Bond Donors
10
H-Bond Acceptors
767
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rosuvastatin287714-41-4CrestonX-PlendedZD-4522ZD4522Rosuvastatina413KH5ZJ73DTXSID8048492CHEBI:38545(3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3R,5S,6E)(3R,5S,6E)-7-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHYL(METHYLSULFONYL)AMINO)PYRIMIDIN-5-YL)-3,5-DIHYDROXYHEPT-6-ENOIC ACIDrosuvastatinum
Data from PubChem (NCBI)
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