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Details

Stereochemistry ABSOLUTE
Molecular Formula C33H33FN2O5
Molecular Weight 556.6239
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Oxo Atorvastatin

SMILES

CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CCC(=O)C[C@@H](O)CC(O)=O)C3=CC=C(F)C=C3)C4=CC=CC=C4

InChI

InChIKey=HIWOZSQQGYAAGY-HHHXNRCGSA-N
InChI=1S/C33H33FN2O5/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/h3-16,21,27,38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H33FN2O5
Molecular Weight 556.6239
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 23:50:18 UTC 2023
Edited
by admin
on Thu Jul 06 23:50:18 UTC 2023
Record UNII
GG8YR784FR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Oxo Atorvastatin
Common Name English
(3R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-oxoheptanoic acid
Systematic Name English
1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β-hydroxy-5-(1-methylethyl)-δ-oxo-3-phenyl-4-[(phenylamino)carbonyl]-, (βR)-
Systematic Name English
Code System Code Type Description
FDA UNII
GG8YR784FR
Created by admin on Thu Jul 06 23:50:18 UTC 2023 , Edited by admin on Thu Jul 06 23:50:18 UTC 2023
PRIMARY
CAS
1391052-82-6
Created by admin on Thu Jul 06 23:50:18 UTC 2023 , Edited by admin on Thu Jul 06 23:50:18 UTC 2023
PRIMARY
PUBCHEM
71751364
Created by admin on Thu Jul 06 23:50:18 UTC 2023 , Edited by admin on Thu Jul 06 23:50:18 UTC 2023
PRIMARY
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