Atorvastatin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1405
Total Number of Articles : 2525
PubChem 60823
Molecular Formula

C33H35FN2O5

SMILES

CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C33H35FN2O5/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-/m1/s1

synonyms
  • atorvastatin
  • 134523-00-5
  • Tozalip
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Properties
Property Value
MW 558.6 g/mol
HBD 4
HBA 6
Rotatable Bond Count 12
Exact Mass 558.25300038 g/mol
Monoisotopic Mass 558.25300038 g/mol
Heavy Atom Count 41
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 822
xlogp 5
Topological Polar Surface Area 112