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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21FO8
Molecular Weight 420.385
Optical Activity ( + )
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Flurbiprofen-acyl-?-D-glucuronide, S-

SMILES

C[C@H](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-IYXYQCAZSA-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 ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:09:48 GMT 2025
Edited
by admin
on Wed Apr 02 17:09:48 GMT 2025
Record UNII
PM4BSL647K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Flurbiprofen-acyl-?-D-glucuronide, S-
Common Name English
S-Flurbiprofen glucuronide
Preferred Name English
?-D-Glucopyranuronic acid, 1-[(?S)-2-fluoro-?-methyl[1,1?-biphenyl]-4-acetate]
Systematic Name English
S-Flurbiprofen-acyl-?-D-glucuronide
Common Name English
S-Flurbiprofen-acyl-b-D-glucuronide
Common Name English
Code System Code Type Description
CAS
162992-66-7
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY
FDA UNII
PM4BSL647K
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY
PUBCHEM
93981540
Created by admin on Wed Apr 02 17:09:48 GMT 2025 , Edited by admin on Wed Apr 02 17:09:48 GMT 2025
PRIMARY
Related Record Type Details
EPIMER -> DIASTEREOISOMER