Name: Atorvastatin 3-Deoxyhept-2E-Enoic Acid
Rating: 5 (10 reviews)

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HIT ID:HIT212708310
Cas No:1105067-93-3
常用名:Atorvastatin 3-Deoxyhept-2E-Enoic Acid
常用名:Atorvastatin 3-Deoxyhept-2E-Enoic Acid
别名:(2E)-2,3-Dehydroxy Atorvastatin
IUPAC:(2E,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxyhept-2-enoic acid
IUPAC:(2E,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-5-hydroxyhept-2-enoic acid
InChI key:MBPXXTUUUBBIRF-LQYYAUOTSA-N

分子式:C33H33FN2O4
分子量:540.635
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:6.6885753
SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C\C=C\C(O)=O)-c1ccccc1
SMILES:CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C\C=C\C(O)=O)-c1ccccc1

Atorvastatin 3-Deoxyhept-2E-Enoic Acid is an impurity of Atorvastatin, an HMG-CoA reductase inhibitor that effectively decreases blood lipids.

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