4-(5-METHYL-3-PHENYL-4-ISOXAZOLYL)BENZENESULFINIC ACID

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(O)=O

InChIKey=MCGQPKHGAPQIDC-UHFFFAOYSA-N

InChI=1S/C16H13NO3S/c1-11-15(12-7-9-14(10-8-12)21(18)19)16(17-20-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19)

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

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:35:09 GMT 2025` Edited by `admin` on `Wed Apr 02 06:35:09 GMT 2025`
Record UNII	49243Q3Q7C
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

VALDECOXIB METABOLITE M7

Preferred Name

English

4-(5-METHYL-3-PHENYL-4-ISOXAZOLYL)BENZENESULFINIC ACID

Systematic Name

English

BENZENESULFINIC ACID, 4-(5-METHYL-3-PHENYL-4-ISOXAZOLYL)-

Systematic Name

English

Code System Code Type Description

CAS

501093-53-4

Created by admin on Wed Apr 02 06:35:09 GMT 2025 , Edited by admin on Wed Apr 02 06:35:09 GMT 2025

PRIMARY

PUBCHEM

17831363

Created by admin on Wed Apr 02 06:35:09 GMT 2025 , Edited by admin on Wed Apr 02 06:35:09 GMT 2025

PRIMARY

FDA UNII

49243Q3Q7C

Created by admin on Wed Apr 02 06:35:09 GMT 2025 , Edited by admin on Wed Apr 02 06:35:09 GMT 2025

PRIMARY

Related Record Type Details


					2919279Q3W

PARENT -> METABOLITE

Qualification:

URINE

Amount: