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pitavastatin

PropertiesImage
MNX_IDMNXM160293 Image of MNXM160293
referencechebi:32020
formulaC25H24FNO4
global charge0
mol weight421.468
InChIKeyVGYFMXBACGZSIL-MCBHFWOFSA-N
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)/b12-11+/t18-,19-/m1/s1
SMILESO=C(O)C[C@H](O)C[C@H](O)/C=C/C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1
MNX internals
InChI (mnx)InChI=1/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)/b12-11+/t18-,19-/m1/s1 Image of MNXM160293
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:22]2[C:20](=[CH:3]1)[C:24]([C:15]1=[CH:8][CH:10]=[C:17]([F:26])[CH:9]=[CH:7]1)=[C:21](/[CH:12]=[CH:11]/[C@H:18]([CH2:13][C@H:19]([CH2:14][C:23](=[O:30])[OH:31])[OH:29])[OH:28])[C:25]([CH:16]1[CH2:5][CH2:6]1)=[N:27]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:32020
chebi:32020
VGYFMXBACGZSIL-MCBHFWOFSA-N 		pitavastatin
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
NK 104
NK-104
pitavastatia
pitavastatine
pitavastatinum
hmdb:HMDB0041991
VGYFMXBACGZSIL-MCBHFWOFSA-N 		Pitavastatin
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
(e,3R,5S)-7-(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoic acid
Itavastatin
Itavastatin calcium
NK 104
NK-104
Nisvastatin
Pitavastatia
Pitavastatin calcium
Pitavastatin lactone
Pitavastatine
Pitavastatinum
pitavastatin

seed.compound:cpd19138
seedM:cpd19138
kegg.compound:C13334
keggC:C13334
VGYFMXBACGZSIL-MCBHFWOFSA-M 		Pitavastatin
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate

CHEBI:71260
chebi:71260
VGYFMXBACGZSIL-MCBHFWOFSA-M 		pitavastatin(1-)
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
(3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
pitavastatin cation

vmhM:ptvst
vmhmetabolite:ptvst
VGYFMXBACGZSIL-MCBHFWOFSA-N 		pitavastatin
(3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid

hmdb:HMDB41991
keggC:M_C13334
seedM:M_cpd19138
vmhM:M_ptvst 		secondary/obsolete/fantasy identifier