CHEBI:71260 - pitavastatin(1−)

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ChEBI Name pitavastatin(1−)
ChEBI ID CHEBI:71260
ChEBI ASCII Name pitavastatin(1-)
Definition A hydroxy monocarboxylic acid anion that is the conjugate base of pitavastatin, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H23FNO4
Net Charge -1
Average Mass 420.45280
Monoisotopic Mass 420.16166
InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(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/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/p-1/b12-11+/t18-,19-/m1/s1
InChIKey VGYFMXBACGZSIL-MCBHFWOFSA-M
SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC([O-])=O
ChEBI Ontology
Outgoing pitavastatin(1−) (CHEBI:71260) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
pitavastatin(1−) (CHEBI:71260) is conjugate base of pitavastatin (CHEBI:32020)
Incoming pitavastatin calcium (CHEBI:71258) has part pitavastatin(1−) (CHEBI:71260)
pitavastatin (CHEBI:32020) is conjugate acid of pitavastatin(1−) (CHEBI:71260)
IUPAC Name
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
Synonyms Sources
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate KEGG COMPOUND
pitavastatin cation ChEBI
Manual Xref Database
C13334 KEGG COMPOUND
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Registry Numbers Types Sources
147511-69-1 CAS Registry Number KEGG COMPOUND
7952950 Reaxys Registry Number Reaxys
Last Modified
28 July 2014