cerivastatin   

GtoPdb Ligand ID: 2950

Synonyms: Baycol® | Lipobay®
cerivastatin is an approved drug (FDA (1997))
Compound class: Synthetic organic
Comment: Cerivastatin is a cholesterol-lowering drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 99.88
Molecular weight 459.24
XLogP 3.42
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES COCc1c(c2ccc(cc2)F)c(C=CC(CC(CC(=O)O)O)O)c(nc1C(C)C)C(C)C
Isomeric SMILES COCc1c(c2ccc(cc2)F)c(/C=C/[C@H](C[C@H](CC(=O)O)O)O)c(nc1C(C)C)C(C)C
InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
InChI Key SEERZIQQUAZTOL-ANMDKAQQSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
Withdrawn drug? Yes
IUPAC Name
(E,3R,5S)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid
International Nonproprietary Names
INN number INN
7083 cerivastatin
Synonyms
Baycol® | Lipobay®
Database Links
CAS Registry No. 145599-86-6 (source: Scifinder)
ChEBI CHEBI:3558
ChEMBL Ligand CHEMBL1477
DrugBank Ligand DB00439
DrugCentral Ligand 577
GtoPdb PubChem SID 135650063
PubChem CID 446156
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Search UniChem for chemical match using the InChIKey SEERZIQQUAZTOL-ANMDKAQQSA-N
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Wikipedia Cerivastatin