Name: (3R,5R)-Rosuvastatin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT100462324
Cas No:1094100-06-7
常用名:(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

分子式:C22H28FN3O6S
分子量:481.54
氢键供体数 (HBD):3
氢键受体数 (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 is the (3R,5R)-enantiomer of Rosuvastatin. Rosuvastatin is a competitive HMG-CoA reductase inhibitor (IC50: 11 nM).

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