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CAS 463962-58-5

:

(3R,6R)-6-[(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid

Description:
The chemical substance with the name "(3R,6R)-6-[(3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]-3,5-dihydroxy-heptanoyl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid" and CAS number "463962-58-5" is a complex organic molecule characterized by multiple functional groups and stereocenters. It features a tetrahydropyran ring, which is a six-membered cyclic ether, and contains several hydroxyl (-OH) groups that contribute to its hydrophilicity and potential biological activity. The presence of a fluorophenyl group suggests potential interactions in biological systems, possibly enhancing its pharmacological properties. The molecule's intricate structure, including a pyrrol moiety and a phenylcarbamoyl group, indicates that it may exhibit significant binding affinity to specific biological targets, making it of interest in medicinal chemistry. Its stereochemistry, denoted by the (3R,6R) and (3R,5R) configurations, is crucial for its biological activity, as the spatial arrangement of atoms can influence how the molecule interacts with enzymes or receptors. Overall, this compound may have applications in drug development or therapeutic interventions.
Formula:C39H43FN2O11
InChI:InChI=1/C39H43FN2O11/c1-21(2)31-30(37(49)41-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(40)16-14-23)42(31)18-17-26(43)19-27(44)20-28(45)52-39-35(48)33(46)34(47)36(53-39)38(50)51/h3-16,21,26-27,33-36,39,43-44,46-48H,17-20H2,1-2H3,(H,41,49)(H,50,51)/t26-,27-,33?,34-,35?,36?,39+/m1/s1
InChI key:InChIKey=ZUTLXLYYUSGCQH-OYPMPUONSA-N
SMILES:C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=O)O)O)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5
Synonyms:
  • β-D-Glucopyranuronic acid, 1-[(βR,δR)-2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoate]
  • Atorvastatin Acyl-β-D-glucuronide
  • Atorvastatin Acyl-beta-D-Glucuranide
  • Atorvastatin Acyl--D-glucuronide
  • 1-[(βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-Methylethyl)-3-phenyl-4-[(phenylaMino)carbonyl]-1H-pyrrole-1-heptanoate] β-D-Glucopyranuronic Acid
  • Atorvastatin impurity 41/Atorvastatin Acyl-beta-D-glucuronide/6-((3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoyloxy)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-carboxylic acid
  • Atorvastatin Acyl-β-D-glucuronide 70%, contains up to 30% lactone
  • 1-[(bR,dR)-2-(4-Fluorophenyl)-b,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoate] b-D-Glucopyranuronic Aci
  • 6-((3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoyloxy)-3,4,5-trihydroxy-tetrahydro-2H-pyran-2-carboxylic acid
  • Atorvastatin Acyl-beta-D-glucuronide
  • See more synonyms
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Found 5 products.