Ketoprofen glucuronide

Details

Stereochemistry	EPIMERIC
Molecular Formula	C22H22O9
Molecular Weight	430.4047
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=PBTXSZZKPHBHMA-LYFYOZKASA-N

InChI=1S/C22H22O9/c1-11(13-8-5-9-14(10-13)15(23)12-6-3-2-4-7-12)21(29)31-22-18(26)16(24)17(25)19(30-22)20(27)28/h2-11,16-19,22,24-26H,1H3,(H,27,28)/t11?,16-,17-,18+,19-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22O9
Molecular Weight	430.4047
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 17:51:50 GMT 2025` Edited by `admin` on `Wed Apr 02 17:51:50 GMT 2025`
Record UNII	Y3HBJ39KV3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ketoprofen glucuronide

Common Name

English

(R,S)-Ketoprofenacyl-D-glucuronide

Preferred Name

English

(2S,3S,4S,5R,6S)-6-((2-(3-Benzoylphenyl)propanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Systematic Name

English

dl-Ketoprofen glucuronide

Systematic Name

English

?-D-Glucopyranuronic acid, 1-(3-benzoyl-?-methylbenzeneacetate)

Systematic Name

English

(±)-Ketoprofen glucuronide

Systematic Name

English

rac-Ketoprofen acyl-beta-D-glucuronide (mixture of isomers)

Systematic Name

English

Code System Code Type Description

FDA UNII

Y3HBJ39KV3

Created by admin on Wed Apr 02 17:51:50 GMT 2025 , Edited by admin on Wed Apr 02 17:51:50 GMT 2025

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CAS

76690-94-3

Created by admin on Wed Apr 02 17:51:50 GMT 2025 , Edited by admin on Wed Apr 02 17:51:50 GMT 2025

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EPA CompTox

DTXSID30998002

Created by admin on Wed Apr 02 17:51:50 GMT 2025 , Edited by admin on Wed Apr 02 17:51:50 GMT 2025

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PUBCHEM

131281

Created by admin on Wed Apr 02 17:51:50 GMT 2025 , Edited by admin on Wed Apr 02 17:51:50 GMT 2025

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