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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H16F2O9
Molecular Weight 426.3217
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Diflunisal acyl-β-D-glucuronide

SMILES

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

InChI

InChIKey=HDNSISKAKJZJPR-NAHJCDBISA-N
InChI=1S/C19H16F2O9/c20-8-2-3-9(11(21)6-8)7-1-4-12(22)10(5-7)18(28)30-19-15(25)13(23)14(24)16(29-19)17(26)27/h1-6,13-16,19,22-25H,(H,26,27)/t13-,14-,15+,16-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H16F2O9
Molecular Weight 426.3217
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:57:58 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:58 GMT 2023
Record UNII
H5X8Z2EL2T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Diflunisal acyl-β-D-glucuronide
Common Name English
(2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylicacid
Systematic Name English
β-D-Glucopyranuronic acid, 1-(2′,4′-difluoro-4-hydroxy[1,1′-biphenyl]-3-carboxylate)
Systematic Name English
Diflunisal acyl glucuronide
Common Name English
Diflunisal glucuronide ester
Common Name English
Code System Code Type Description
PUBCHEM
173625
Created by admin on Sat Dec 16 19:57:58 GMT 2023 , Edited by admin on Sat Dec 16 19:57:58 GMT 2023
PRIMARY
FDA UNII
H5X8Z2EL2T
Created by admin on Sat Dec 16 19:57:58 GMT 2023 , Edited by admin on Sat Dec 16 19:57:58 GMT 2023
PRIMARY
CAS
58446-30-3
Created by admin on Sat Dec 16 19:57:58 GMT 2023 , Edited by admin on Sat Dec 16 19:57:58 GMT 2023
PRIMARY