Atorvastatin

Atorvastatin bmse001306 - Data

Atorvastatin synonyms

Wikipedia:

Graphical representations:

Atorvastatin

View large 3D structure

Molecular Formula: C33H35FN2O5

Natural Isotopic Abundance Mass: 558.6398032

Mono-Isotopic Molecular Masses:

  • C12N14: 558.25300045
  • C13N14: 591.363710104
  • C12N15: 560.247070236
  • C13N15: 593.35777989

InChI string: 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

BMRB Ligand Expo: 117
PubChem Compound (CID): 60823

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)