5-CARBOXY-4'-HYDROXYLUMIRACOXIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H11ClFNO5
Molecular Weight	339.703
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-CARBOXY-4'-HYDROXYLUMIRACOXIB

Structure Search

SMILES

OC(=O)CC1=CC(=CC=C1NC2=C(F)C=C(O)C=C2Cl)C(O)=O

InChI

InChIKey=MNDQIDSPYXYALX-UHFFFAOYSA-N

InChI=1S/C15H11ClFNO5/c16-10-5-9(19)6-11(17)14(10)18-12-2-1-7(15(22)23)3-8(12)4-13(20)21/h1-3,5-6,18-19H,4H2,(H,20,21)(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C15H11ClFNO5
Molecular Weight	339.703
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 21:06:10 GMT 2025` Edited by `admin` on `Tue Apr 01 21:06:10 GMT 2025`
Record UNII	59DRA6N0F0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUMIRACOXIB METABOLITE M5

Preferred Name

English

5-CARBOXY-4'-HYDROXYLUMIRACOXIB

Common Name

English

BENZENEACETIC ACID, 5-CARBOXY-2-((2-CHLORO-6-FLUORO-4-HYDROXYPHENYL)AMINO)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

135390857

Created by admin on Tue Apr 01 21:06:10 GMT 2025 , Edited by admin on Tue Apr 01 21:06:10 GMT 2025

PRIMARY

CAS

749921-04-8

Created by admin on Tue Apr 01 21:06:10 GMT 2025 , Edited by admin on Tue Apr 01 21:06:10 GMT 2025

PRIMARY

FDA UNII

59DRA6N0F0

Created by admin on Tue Apr 01 21:06:10 GMT 2025 , Edited by admin on Tue Apr 01 21:06:10 GMT 2025

PRIMARY

Related Record Type Details


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LUMIRACOXIB

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE

Amount: