rosuvastatin   

GtoPdb Ligand ID: 2954

Synonyms: Crestor® | ZD4522
rosuvastatin is an approved drug (FDA (2003))
Compound class: Synthetic organic
Comment: Marketed formulations may contain rosuvastatin calcium (PubChem CID 5282455).
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View more information in the IUPHAR Pharmacology Education Project: rosuvastatin

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 149.3
Molecular weight 481.17
XLogP 2.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(CC(CC(=O)O)O)C=Cc1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
Isomeric SMILES O[C@@H](C[C@H](CC(=O)O)O)/C=C/c1c(nc(nc1c1ccc(cc1)F)N(S(=O)(=O)C)C)C(C)C
InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
InChI Key BPRHUIZQVSMCRT-VEUZHWNKSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel