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HIT214314668
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HIT214314668
  • HIT ID:HIT214314668
  • Cas No:887196-29-4
  • 常用名:O-Methyl Atorvastatin hemicalcium
    常用名:O-Methyl Atorvastatin hemicalcium
  • IUPAC:bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxy-3-methoxyheptanoic acid) calcium dihydride
    IUPAC:bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxy-3-methoxyheptanoic acid) calcium dihydride
  • InChI key:MUFMVQGZIBTMLA-PSXFFQGMSA-N
  • 分子式:C68H74CaF2N4O10
  • 分子量:1185.433
  • 氢键供体数 (HBD):
  • 氢键受体数 (HBA):
  • LogP:
  • SMILES:[CaH2].CO[C@H](C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccccc1)CC(O)=O.CO[C@H](C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccccc1)CC(O)=O
    SMILES:[CaH2].CO[C@H](C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccccc1)CC(O)=O.CO[C@H](C[C@H](O)CCn1c(C(C)C)c(C(=O)Nc2ccccc2)c(c1-c1ccc(F)cc1)-c1ccccc1)CC(O)=O
  • O-Methyl Atorvastatin is an impurity of Atorvastatin that is an orally active inhibitor of 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase, has the ability to effectively decrease blood lipids.
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