Diflunisal acyl-?-D-glucuronide

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-?-D-glucuronide

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)C2=CC(=CC=C2O)C3=CC=C(F)C=C3F)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 `Wed Apr 02 17:54:43 GMT 2025` Edited by `admin` on `Wed Apr 02 17:54:43 GMT 2025`
Record UNII	H5X8Z2EL2T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diflunisal acyl-?-D-glucuronide

Common Name

English

Diflunisal acyl glucuronide

Preferred Name

English

(2S,3S,4S,5R,6S)-6-[5-(2,4-difluorophenyl)-2-hydroxybenzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylicacid

Systematic Name

English

?-D-Glucopyranuronic acid, 1-(2?,4?-difluoro-4-hydroxy[1,1?-biphenyl]-3-carboxylate)

Systematic Name

English

Diflunisal glucuronide ester

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10207144

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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PUBCHEM

173625

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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FDA UNII

H5X8Z2EL2T

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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CAS

58446-30-3

Created by admin on Wed Apr 02 17:54:43 GMT 2025 , Edited by admin on Wed Apr 02 17:54:43 GMT 2025

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