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Details

Stereochemistry EPIMERIC
Molecular Formula C21H21FO8
Molecular Weight 420.385
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Flurbiprofen-acyl-beta-D-glucuronide, (RS)-

SMILES

CC(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C2=CC=C(C(F)=C2)C3=CC=CC=C3

InChI

InChIKey=PLPQBSOCUVSKTP-DHOLTFTNSA-N
InChI=1S/C21H21FO8/c1-10(12-7-8-13(14(22)9-12)11-5-3-2-4-6-11)20(28)30-21-17(25)15(23)16(24)18(29-21)19(26)27/h2-10,15-18,21,23-25H,1H3,(H,26,27)/t10?,15-,16-,17+,18-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H21FO8
Molecular Weight 420.385
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:40:03 GMT 2025
Edited
by admin
on Wed Apr 02 18:40:03 GMT 2025
Record UNII
PN53D4E4DW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Flurbiprofen-acyl-beta-D-glucuronide, (RS)-
Common Name English
(RS)-Flurbiprofen-acyl-beta-D-glucuronide
Preferred Name English
?-D-Glucopyranuronic acid, 1-(2-fluoro-?-methyl[1,1?-biphenyl]-4-acetate)
Systematic Name English
Flurbiprofen Acyl-?-D-glucuronide
Common Name English
Flurbiprofen glucuronide
Common Name English
Code System Code Type Description
CAS
91683-37-3
Created by admin on Wed Apr 02 18:40:03 GMT 2025 , Edited by admin on Wed Apr 02 18:40:03 GMT 2025
PRIMARY
PUBCHEM
71316898
Created by admin on Wed Apr 02 18:40:03 GMT 2025 , Edited by admin on Wed Apr 02 18:40:03 GMT 2025
PRIMARY
FDA UNII
PN53D4E4DW
Created by admin on Wed Apr 02 18:40:03 GMT 2025 , Edited by admin on Wed Apr 02 18:40:03 GMT 2025
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> EPIMER
DIASTEREOISOMER -> EPIMER