Atorvastatin-d5 Lactone

Base Information

• Chemical Name: Atorvastatin-d5 Lactone
• CAS No.: 1217749-86-4
• Molecular Formula: C33H33FN2O4
• Molecular Weight: 545.7
• Mol file: 1217749-86-4.mol

Synonyms:Atorvastatin-d5 Lactone;1217749-86-4;Atorvastatin lactone D5;5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-2-propan-2-ylpyrrole-3-carboxamide;Atorvastatin lactone-d5;HY-101873S;5-(4-Fluorophenyl)-2-(1-methylethyl)-N-phenyl-(4-phenyl-d5)-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1H-pyrrole-3-carboxamide;CS-0130984

Chemical Property of Atorvastatin-d5 Lactone

Chemical Property:

• Storage Temp.: -20°C Freezer, Under Inert Atmosphere
• Solubility.: Methanol (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 545.27381943
• Heavy Atom Count: 40
• Complexity: 834

Purity/Quality:

> 95% ^*data from raw suppliers

Atorvastatin-d5 Lactone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3)C(C)C)CC[C@@H]4C[C@H](CC(=O)O4)O)C5=CC=C(C=C5)F)[2H])[2H]
• Uses: Labelled Atorvastatin intermediate as inhibitor of MAP kinase and/or HMG-CoA reductase for the treatment of inflammation.