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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-β-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(F)=C(C=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

Approval Year

Name Type Language
Flurbiprofen-acyl-β-D-glucuronide, S-
Common Name English
β-D-Glucopyranuronic acid, 1-[(αS)-2-fluoro-α-methyl[1,1′-biphenyl]-4-acetate]
Systematic Name English
S-Flurbiprofen-acyl-β-D-glucuronide
Common Name English
S-Flurbiprofen-acyl-b-D-glucuronide
Common Name English
S-Flurbiprofen glucuronide
Common Name English
Code System Code Type Description
CAS
162992-66-7
Created by admin on Sat Dec 16 19:46:10 GMT 2023 , Edited by admin on Sat Dec 16 19:46:10 GMT 2023
PRIMARY
FDA UNII
PM4BSL647K
Created by admin on Sat Dec 16 19:46:10 GMT 2023 , Edited by admin on Sat Dec 16 19:46:10 GMT 2023
PRIMARY
PUBCHEM
93981540
Created by admin on Sat Dec 16 19:46:10 GMT 2023 , Edited by admin on Sat Dec 16 19:46:10 GMT 2023
PRIMARY