CHEBI:77249 - rosuvastatin calcium

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ChEBI Name rosuvastatin calcium
Definition An organic calcium salt that is the hemicalcium salt of rosuvastatin.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Toni Morrison
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Formula C44H54CaF2N6O12S2
Net Charge 0
Average Mass 1001.13700
Monoisotopic Mass 1000.28351
InChI InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(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;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1
SMILES [Ca++].CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O.CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)N(C)S(C)(=O)=O
Roles Classification
Biological Role(s): CETP inhibitor
Any inhibitor of cholesterylester transfer protein (CETP), which transfers cholesterol from high density lipoproteins (HDL, the 'good' cholesterol-containing particles) to low or very low density lipoproteins (LDL or VLDL, the 'bad' cholesterol-containing particles). Inhibition of this process results in higher HDL levels and lower LDL levels. CETP inhibitors are under investigation as potential drugs to reduce the risk of arteriosclerotic vascular disease (atherosclerosis).
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
cardioprotective agent
Any protective agent that is able to prevent damage to the heart.
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ChEBI Ontology
Outgoing rosuvastatin calcium (CHEBI:77249) has part rosuvastatin(1−) (CHEBI:77313)
rosuvastatin calcium (CHEBI:77249) has role anti-inflammatory agent (CHEBI:67079)
rosuvastatin calcium (CHEBI:77249) has role cardioprotective agent (CHEBI:77307)
rosuvastatin calcium (CHEBI:77249) has role CETP inhibitor (CHEBI:49205)
rosuvastatin calcium (CHEBI:77249) is a N-acyl-15-methylhexadecasphinganine-1-phosphoethanolamine (CHEBI:83765)
rosuvastatin calcium (CHEBI:77249) is a organic calcium salt (CHEBI:51031)
calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate]
Synonyms Sources
Rosuvastatin hemicalcium ChemIDplus
Brand Name Source
Manual Xrefs Databases
DB01098 DrugBank
EP2298745 Patent
HMDB0015230 HMDB
Rosuvastatin Wikipedia
WO2008015563 Patent
WO2012002741 Patent
WO2012016479 Patent
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Registry Numbers Types Sources
147098-20-2 CAS Registry Number ChemIDplus
147098-20-2 CAS Registry Number KEGG DRUG
7740139 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
24 August 2015