CHEBI:77249 - rosuvastatin calcium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rosuvastatin calcium
ChEBI ID CHEBI:77249
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
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C44H54CaF2N6O12S2
Net Charge 0
Average Mass 1001.13700
Monoisotopic Mass 1000.284
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
InChIKey LALFOYNTGMUKGG-BGRFNVSISA-L
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.
View more via ChEBI Ontology
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)
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 Sources
Rosuvastatin hemicalcium ChemIDplus
ZD 4522 KEGG DRUG
Brand Name Source
Crestor KEGG DRUG
Manual Xrefs Databases
D01915 KEGG DRUG
DB01098 DrugBank
EP2298745 Patent
HMDB0015230 HMDB
Rosuvastatin Wikipedia
WO2008015563 Patent
WO2012002741 Patent
WO2012016479 Patent
View more database links
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
20401351 PubMed citation Europe PMC
20448862 PubMed citation Europe PMC
20852754 PubMed citation Europe PMC
21694991 PubMed citation Europe PMC
21963479 PubMed citation Europe PMC
22896825 PubMed citation Europe PMC
22944060 PubMed citation Europe PMC
23019718 PubMed citation Europe PMC
23066186 PubMed citation Europe PMC
23469685 PubMed citation Europe PMC
23574635 PubMed citation Europe PMC
23675248 PubMed citation Europe PMC
23823872 PubMed citation Europe PMC
23999225 PubMed citation Europe PMC
24012665 PubMed citation Europe PMC
24386659 PubMed citation Europe PMC
Last Modified
24 August 2015