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CHEBI:71258 - pitavastatin calcium

ChEBI IDCHEBI:71258
ChEBI Namepitavastatin calcium
Stars
DefinitionThe calcium salt of pitavastatin. Used for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise.
Last Modified24 August 2015
SubmitterSteve
DownloadsMolfile
Formula2C25H23FNO4.Ca
Net Charge0
Average Mass880.998
Monoisotopic Mass880.28481
SMILESO=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]
InChIInChI=1S/2C25H24FNO4.Ca/c2*26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h2*1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b2*12-11+;/t2*18-,19-;/m11./s1
InChIKeyRHGYHLPFVJEAOC-FFNUKLMVSA-L
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor  Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme.
Application:
anticholesteremic drug  A substance used to lower plasma cholesterol levels.
ChEBI Ontology
Outgoing Relation(s)
pitavastatin calcium (CHEBI:71258) has part pitavastatin(1−) (CHEBI:71260)
pitavastatin calcium (CHEBI:71258) has role antioxidant (CHEBI:22586)
pitavastatin calcium (CHEBI:71258) is a calcium salt (CHEBI:35156)
pitavastatin calcium (CHEBI:71258) is a statin (synthetic) (CHEBI:87635)
IUPAC Name 
calcium bis{(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate}
Synonyms  Source
Pitavastatin hemicalciumChemIDplus
Bis((3R,5S,6E)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate) monocalcium saltChemIDplus
Manual XrefsDatabases
D01862KEGG DRUG
EP2383260Patent
WO2012025939Patent
US2012016129Patent
WO2007125547Patent
WO2007132482Patent
WO2005063711Patent
PitavastatinWikipedia
US2012101126Patent
US2009182008Patent
WO2011105649Patent
KR20110097058Patent
WO2012002741Patent
KR20110092804Patent
US2011082298Patent
US2011319624Patent
Registry NumbersSources
Reaxys:7965530Reaxys
CAS:147526-32-7KEGG DRUG
CAS:147526-32-7ChemIDplus
Citations