U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C40H46F2N2O5
Molecular Weight 672.8004
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Difluoro Atorvastatin Acetonide tert-Butyl Ester

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H]3C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O3)C4=CC=C(F)C=C4)C5=CC=C(F)C=C5

InChI

InChIKey=FXOZEZIWLMWZMX-ROJLCIKYSA-N
InChI=1S/C40H46F2N2O5/c1-25(2)36-35(38(46)43-30-11-9-8-10-12-30)34(26-13-17-28(41)18-14-26)37(27-15-19-29(42)20-16-27)44(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32H,21-24H2,1-7H3,(H,43,46)/t31-,32-/m1/s1

HIDE SMILES / InChI

Approval Year