atorvastatin calcium (CHEBI:50686)

CHEBI:50686 - atorvastatin calcium

ChEBI ID	CHEBI:50686
ChEBI Name	atorvastatin calcium
Stars
Definition	An organic calcium salt composed of calcium cations and atorvastatin anions in a 1:2 ratio.
Last Modified	19 March 2025
Submitter	Inma Spiteri
Downloads	Molfile

Formula	2C33H34FN2O5.Ca
Net Charge	0
Average Mass	1155.362
Monoisotopic Mass	1154.45294
SMILES	CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]
InChI	InChI=1S/2C33H35FN2O5.Ca/c21-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h23-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1
InChIKey	FQCKMBLVYCEXJB-MNSAWQCASA-L

Roles Classification

antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria.

anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus.

hypoglycemic agent A drug which lowers the blood glucose level.

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

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

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

anticholesteremic drug A substance used to lower plasma cholesterol levels.

neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders.

ChEBI Ontology

Outgoing Relation(s)
	atorvastatin calcium (CHEBI:50686) has part atorvastatin(1−) (CHEBI:50690)
	atorvastatin calcium (CHEBI:50686) has role anti-HIV agent (CHEBI:64946)
	atorvastatin calcium (CHEBI:50686) has role antibacterial agent (CHEBI:33282)
	atorvastatin calcium (CHEBI:50686) has role anticholesteremic drug (CHEBI:35821)
	atorvastatin calcium (CHEBI:50686) has role antihypertensive agent (CHEBI:35674)
	atorvastatin calcium (CHEBI:50686) has role antineoplastic agent (CHEBI:35610)
	atorvastatin calcium (CHEBI:50686) has role cardiovascular drug (CHEBI:35554)
	atorvastatin calcium (CHEBI:50686) has role hypoglycemic agent (CHEBI:35526)
	atorvastatin calcium (CHEBI:50686) has role neuroprotective agent (CHEBI:63726)
	atorvastatin calcium (CHEBI:50686) is a aromatic amide (CHEBI:62733)
	atorvastatin calcium (CHEBI:50686) is a organic calcium salt (CHEBI:51031)
	atorvastatin calcium (CHEBI:50686) is a organic molecular entity (CHEBI:50860)
Incoming Relation(s)
Incoming Relation(s)	atorvastatin calcium trihydrate (CHEBI:2911) has part atorvastatin calcium (CHEBI:50686)

IUPAC Name
calcium bis{(3R,5R)-7-[3-(anilinocarbonyl)-5-(4-fluorophenyl)-2-isopropyl-4-phenyl-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate}

Synonyms	Source
Atorvastatin calcium (anhydrous)	ChEMBL
Atorvastatin calcium salt anhydrous	ChEMBL
Atorvastatin calcium salt trihydrate	ChEMBL
Calcium (betaR,deltaR)-2-(p-fluorophenyl)-beta,delta-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoate (1:2)	ChemIDplus
NSC-758617	ChEMBL

Brand Names	Source
Atorvaliq	ChEMBL
Atorvastan	DrugBank
Atorvastatin calcium component of caduet	ChEMBL
Atorvastatin calcium component of liptruzet	ChEMBL
Atorvastatin calcium component of ocustatin trihydrate	ChEMBL
Lipitor	DrugBank

Manual Xrefs	Databases
D00887	KEGG DRUG
DBSALT000011	DrugBank

Registry Numbers	Sources
Reaxys:5373842	Reaxys
CAS:134523-03-8	ChemIDplus

Citations