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Details

Stereochemistry EPIMERIC
Molecular Formula C33H35FN2O6
Molecular Weight 574.6392
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R,5R)-7-[5-(4-fluorophenyl)-2-oxo-4-phenyl-3-(phenylcarbamoyl)-3-(propan-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid

SMILES

CC(C)C2(C(=O)NC1=CC=CC=C1)C(=O)N(CC[C@@H](O)C[C@@H](O)CC(O)=O)C(=C2C3=CC=CC=C3)C4=CC=C(F)C=C4

InChI

InChIKey=IJPSBDFKAGUGAN-OMKZWDOSSA-N
InChI=1S/C33H35FN2O6/c1-21(2)33(31(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)30(23-13-15-24(34)16-14-23)36(32(33)42)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-,33?/m1/s1

HIDE SMILES / InChI

Molecular Formula C33H35FN2O6
Molecular Weight 574.6392
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:16:59 GMT 2023
Edited
by admin
on Sat Dec 16 11:16:59 GMT 2023
Record UNII
PE665J9JLG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R,5R)-7-[5-(4-fluorophenyl)-2-oxo-4-phenyl-3-(phenylcarbamoyl)-3-(propan-2-yl)-2,3-dihydro-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Systematic Name English
(3R,5R)-3,5-Dihydroxy-7-[2-oxo-3-isopropyl-3-(phenylcarbamoyl)-4-phenyl-5-(4-fluorophenyl)-2,3-dihydro-1H-pyrrole-1-yl]heptanoic acid
Systematic Name English
1H-Pyrrole-1-heptanoic acid, 5-(4-fluorophenyl)-2,3-dihydro-β,δ-dihydroxy-3-(1-methylethyl)-2-oxo-4-phenyl-3-[(phenylamino)carbonyl]-, (βR,δR)-
Common Name English
(βR,δR)-5-(4-Fluorophenyl)-2,3-dihydro-β,δ-dihydroxy-3-(1-methylethyl)-2-oxo-4-phenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid
Common Name English
ATORVASTATIN CALCIUM IMPURITY Q [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
PE665J9JLG
Created by admin on Sat Dec 16 11:16:59 GMT 2023 , Edited by admin on Sat Dec 16 11:16:59 GMT 2023
PRIMARY
PUBCHEM
71313456
Created by admin on Sat Dec 16 11:16:59 GMT 2023 , Edited by admin on Sat Dec 16 11:16:59 GMT 2023
PRIMARY
CAS
906552-18-9
Created by admin on Sat Dec 16 11:16:59 GMT 2023 , Edited by admin on Sat Dec 16 11:16:59 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY