BENZENESULFONAMIDE, N-HYDROXY-4-(5-METHYL-3-PHENYL-4-ISOXAZOLYL)-

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H14N2O4S
Molecular Weight	330.358
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZENESULFONAMIDE, N-HYDROXY-4-(5-METHYL-3-PHENYL-4-ISOXAZOLYL)-

Structure Search

SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NO

InChI

InChIKey=ONTHNDYCEKOFIC-UHFFFAOYSA-N

InChI=1S/C16H14N2O4S/c1-11-15(16(17-22-11)13-5-3-2-4-6-13)12-7-9-14(10-8-12)23(20,21)18-19/h2-10,18-19H,1H3

HIDE SMILES / InChI

Molecular Formula	C16H14N2O4S
Molecular Weight	330.358
Charge	0
Count

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

Approval Year

PubMed

Title	Date	PubMed
Chemical and biological investigation of N-hydroxy-valdecoxib: An active metabolite of valdecoxib.	2008-05-01	18353655

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:14:57 GMT 2025` Edited by `admin` on `Mon Mar 31 22:14:57 GMT 2025`
Record UNII	6M6L09OU0A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VALDECOXIB METABOLITE M2

Preferred Name

English

BENZENESULFONAMIDE, N-HYDROXY-4-(5-METHYL-3-PHENYL-4-ISOXAZOLYL)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30458535

Created by admin on Mon Mar 31 22:14:57 GMT 2025 , Edited by admin on Mon Mar 31 22:14:57 GMT 2025

PRIMARY

FDA UNII

6M6L09OU0A

Created by admin on Mon Mar 31 22:14:57 GMT 2025 , Edited by admin on Mon Mar 31 22:14:57 GMT 2025

PRIMARY

PUBCHEM

11198846

Created by admin on Mon Mar 31 22:14:57 GMT 2025 , Edited by admin on Mon Mar 31 22:14:57 GMT 2025

PRIMARY

CAS

501093-49-8

Created by admin on Mon Mar 31 22:14:57 GMT 2025 , Edited by admin on Mon Mar 31 22:14:57 GMT 2025

PRIMARY

Related Record Type Details


					2919279Q3W

VALDECOXIB

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE

Amount: