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HIT100462324
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HIT100462324
  • HIT ID:HIT100462324
  • Cas No:1094100-06-7
  • Common Name:(3R,5R)-Rosuvastatin
  • IUPAC:(3R,5R,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
    IUPAC:(3R,5R,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
  • InChI key:BPRHUIZQVSMCRT-YXWZHEERSA-N
  • Molecular Formula:C22H28FN3O6S
  • Molecular Weight:481.54
  • Hydrogen Bond Donor (HBD):3
  • Hydrogen Bond Acceptor (HBA):8
  • LogP:1.9229605
  • SMILES:CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O
    SMILES:CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O
  • (3R,5R)-Rosuvastatin, the (3R,5R)-enantiomer of Rosuvastatin, is a competitive HMG-CoA reductase inhibitor with an IC50 of 11 nM.
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