rosuvastatin calcium (CHEBI:77249)

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CHEBI:77249 - rosuvastatin calcium

ChEBI ID	CHEBI:77249
ChEBI Name	rosuvastatin calcium
Stars
Definition	An organic calcium salt that is the hemicalcium salt of rosuvastatin.
Last Modified	24 August 2015
Submitter	tmorrison
Downloads	Molfile

Formula	2C22H27FN3O6S.Ca
Net Charge	0
Average Mass	1001.154
Monoisotopic Mass	1000.28351
SMILES	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-].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]
InChI	InChI=1S/2C22H28FN3O6S.Ca/c21-13(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;/h25-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b210-9+;/t216-,17-;/m11./s1
InChIKey	LALFOYNTGMUKGG-BGRFNVSISA-L

Wikipedia

Roles Classification

Biological Roles:

anti-HBV agent An antiviral agent that destroys or inhibits the replication of the hepatitis B virus.

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:

antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

antiatherosclerotic agent A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent.

cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

hypoglycemic agent A drug which lowers the blood glucose level.

anticholesteremic drug A substance used to lower plasma cholesterol levels.

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-HBV agent (CHEBI:64951)
	rosuvastatin calcium (CHEBI:77249) has role anti-inflammatory agent (CHEBI:67079)
	rosuvastatin calcium (CHEBI:77249) has role antiatherosclerotic agent (CHEBI:145947)
	rosuvastatin calcium (CHEBI:77249) has role anticholesteremic drug (CHEBI:35821)
	rosuvastatin calcium (CHEBI:77249) has role antihypertensive agent (CHEBI:35674)
	rosuvastatin calcium (CHEBI:77249) has role antineoplastic agent (CHEBI:35610)
	rosuvastatin calcium (CHEBI:77249) has role cardioprotective agent (CHEBI:77307)
	rosuvastatin calcium (CHEBI:77249) has role cardiovascular drug (CHEBI:35554)
	rosuvastatin calcium (CHEBI:77249) has role CETP inhibitor (CHEBI:49205)
	rosuvastatin calcium (CHEBI:77249) has role hypoglycemic agent (CHEBI:35526)
	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
Fortius	ChEMBL
NSC-747274	ChEMBL
NSC-758930	ChEMBL
Rostar	ChEMBL
Rosuvastatin (as calcium)	ChEMBL
Rosuvastatin calcium salt	ChEMBL

Brand Names	Source
Crestor	KEGG DRUG
Ezallor	ChEMBL
Ezallor sprinkle	ChEMBL
Rosuvastatin calcium component of roszet	ChEMBL

Manual Xrefs	Databases
D01915	KEGG DRUG
DB01098	DrugBank
EP2298745	Patent
HMDB0015230	HMDB
Rosuvastatin	Wikipedia
WO2008015563	Patent
WO2012002741	Patent
WO2012016479	Patent

Registry Numbers	Sources
Reaxys:7740139	Reaxys
CAS:147098-20-2	KEGG DRUG
CAS:147098-20-2	ChemIDplus

Citations