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CHEBI:77249 - rosuvastatin calcium

Default Structure
ChEBI IDCHEBI:77249
ChEBI Namerosuvastatin calcium
Stars
DefinitionAn organic calcium salt that is the hemicalcium salt of rosuvastatin.
Last Modified24 August 2015
Submittertmorrison
DownloadsMolfile
Formula2C22H27FN3O6S.Ca
Net Charge0
Average Mass1001.154
Monoisotopic Mass1000.28351
SMILESCC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]
InChIInChI=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
InChIKeyLALFOYNTGMUKGG-BGRFNVSISA-L
Wikipedia
Roles Classification
Biological Role:
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).
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
cardioprotective agent  Any protective agent that is able to prevent damage to the heart.
ChEBI Ontology
Outgoing Relation(s)
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)
IUPAC Name 
calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate]
Synonyms  Source
Rosuvastatin hemicalciumChemIDplus
ZD 4522KEGG DRUG
Brand Name  Source
CrestorKEGG DRUG
Manual XrefsDatabases
D01915KEGG DRUG
DB01098DrugBank
EP2298745Patent
HMDB0015230HMDB
RosuvastatinWikipedia
WO2008015563Patent
WO2012002741Patent
WO2012016479Patent
Registry NumbersSources
Reaxys:7740139Reaxys
CAS:147098-20-2KEGG DRUG
CAS:147098-20-2ChemIDplus
Citations