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CAS 1105067-88-6

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1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (βS,δS)-

Description:
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (βS,δS)- is a complex organic compound characterized by its unique structural features, including a pyrrole ring and multiple functional groups such as hydroxyl, carbonyl, and aromatic moieties. The presence of a calcium salt indicates that it forms a coordination complex, which may enhance its stability and solubility in biological systems. The fluorophenyl group suggests potential applications in medicinal chemistry, as fluorinated compounds often exhibit altered pharmacokinetics and increased metabolic stability. The compound's stereochemistry, denoted by the (βS,δS) configuration, implies specific spatial arrangements that can influence its biological activity and interactions with receptors or enzymes. Overall, this substance may possess interesting properties for research in pharmaceuticals or agrochemicals, although detailed studies would be necessary to elucidate its specific biological effects and potential applications.
Formula:C33H35FN2O5Ca
InChI:InChI=1S/C33H35FN2O5.Ca/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/t26-,27-;/m0./s1
InChI key:InChIKey=BWFCZHDTTAYGNN-WMXJXTQLSA-N
SMILES:C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@@H](C[C@@H](CC(O)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Ca]
Synonyms:
  • 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (βS,δS)-
  • -7-(2-(4-fluorophenyl)
  • Atorvastatin Related Compound E (10 mg) (3S, 5S enantiomer of Atorvastatin Calcium)
  • Atorvastatin impurity 6/Atorvastatin EP Impurity E Calcium Salt/(3S,5S)-Atorvastatin Calcium Salt/((3S,5S)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4- (phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate) Calcium Salt
  • "Atorvastatin corresponds to isomer Atorvastatin calcium 2020 Pharmacopoeia Impurity VIII)"
  • (betaS,deltaS)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid calcium salt (2:1)
  • (βS,δS)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemicalcium salt
  • 3S,5S enantiomer-Atorvastatin calcium
  • -5-isopropyl-3-phenyl-4-(phenylcarbamoyl)
  • 3S, 5S enantioMer of Atorvastatin CalciuM
  • See more synonyms
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