4'-HYDROXY-LUMIRACOXIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H13ClFNO3
Molecular Weight	309.72
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(NC2=C(Cl)C=C(O)C=C2F)C(CC(O)=O)=C1

InChI

InChIKey=LUNFHOZKXHTOLG-UHFFFAOYSA-N

InChI=1S/C15H13ClFNO3/c1-8-2-3-13(9(4-8)5-14(20)21)18-15-11(16)6-10(19)7-12(15)17/h2-4,6-7,18-19H,5H2,1H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula	C15H13ClFNO3
Molecular Weight	309.72
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 `Sat Dec 16 15:57:48 UTC 2023` Edited by `admin` on `Sat Dec 16 15:57:48 UTC 2023`
Record UNII	WR965SX6KM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-HYDROXY-LUMIRACOXIB

Common Name

English

LUMIRACOXIB METABOLITE M23

Common Name

English

2-((2-CHLORO-6-FLUORO-4-HYDROXYPHENYL)AMINO)-5-METHYLBENZENEACETIC ACID

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

9904747

Created by admin on Sat Dec 16 15:57:48 UTC 2023 , Edited by admin on Sat Dec 16 15:57:48 UTC 2023

PRIMARY

CAS

220991-37-7

Created by admin on Sat Dec 16 15:57:48 UTC 2023 , Edited by admin on Sat Dec 16 15:57:48 UTC 2023

PRIMARY

FDA UNII

WR965SX6KM

Created by admin on Sat Dec 16 15:57:48 UTC 2023 , Edited by admin on Sat Dec 16 15:57:48 UTC 2023

PRIMARY

Related Record Type Details


					V91T9204HU

LUMIRACOXIB

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

PLASMA

Amount:


					V91T9204HU

LUMIRACOXIB

PARENT -> METABOLITE

Qualification:

FECAL; URINE