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CHEBI:71260 - pitavastatin(1−)

ChEBI IDCHEBI:71260
ChEBI Namepitavastatin(1−)
Stars
ASCII Namepitavastatin(1-)
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of pitavastatin, obtained by deprotonation of the carboxy group.
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC25H23FNO4
Net Charge-1
Average Mass420.460
Monoisotopic Mass420.16166
SMILESO=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIInChI=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
InChIKeyVGYFMXBACGZSIL-MCBHFWOFSA-M
ChEBI Ontology
Outgoing Relation(s)
pitavastatin(1−) (CHEBI:71260) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
pitavastatin(1−) (CHEBI:71260) is conjugate base of pitavastatin (CHEBI:32020)
Incoming Relation(s)
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  Source
pitavastatin cationChEBI
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoateKEGG COMPOUND
Manual XrefsDatabases
C13334KEGG COMPOUND
Registry NumbersSources
Reaxys:7952950Reaxys
CAS:147511-69-1KEGG COMPOUND