IMRECOXIB

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Possibly Marketed Outside US

Possibly Marketed Outside US

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H23NO3S
Molecular Weight	369.477
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of IMRECOXIB

Structure Search

SMILES

CCCN1CC(=C(C1=O)C2=CC=C(C)C=C2)C3=CC=C(C=C3)S(C)(=O)=O

InChI

InChIKey=AXMZZGKKZDJGAZ-UHFFFAOYSA-N

InChI=1S/C21H23NO3S/c1-4-13-22-14-19(16-9-11-18(12-10-16)26(3,24)25)20(21(22)23)17-7-5-15(2)6-8-17/h5-12H,4,13-14H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C21H23NO3S
Molecular Weight	369.477
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 10:13:05 UTC 2023` Edited by `admin` on `Sat Dec 16 10:13:05 UTC 2023`
Record UNII	SGW6W5758V
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IMRECOXIB

Common Name

English

2H-PYRROL-2-ONE, 1,5-DIHYDRO-3-(4-METHYLPHENYL)-4-(4-(METHYLSULFONYL)PHENYL)-1-PROPYL-

Systematic Name

English

BAP-909

Code

English

Imrecoxib [WHO-DD]

Common Name

English

Code System Code Type Description

DRUG BANK

DB12354

Created by admin on Sat Dec 16 10:13:05 UTC 2023 , Edited by admin on Sat Dec 16 10:13:05 UTC 2023

PRIMARY

CAS

395683-14-4

Created by admin on Sat Dec 16 10:13:05 UTC 2023 , Edited by admin on Sat Dec 16 10:13:05 UTC 2023

PRIMARY

FDA UNII

SGW6W5758V

Created by admin on Sat Dec 16 10:13:05 UTC 2023 , Edited by admin on Sat Dec 16 10:13:05 UTC 2023

PRIMARY

SMS_ID

100000168972

Created by admin on Sat Dec 16 10:13:05 UTC 2023 , Edited by admin on Sat Dec 16 10:13:05 UTC 2023

PRIMARY

DRUG CENTRAL

5250

Created by admin on Sat Dec 16 10:13:05 UTC 2023 , Edited by admin on Sat Dec 16 10:13:05 UTC 2023

PRIMARY

EVMPD

SUB182513

Created by admin on Sat Dec 16 10:13:05 UTC 2023 , Edited by admin on Sat Dec 16 10:13:05 UTC 2023

PRIMARY

PUBCHEM

11682175

Created by admin on Sat Dec 16 10:13:05 UTC 2023 , Edited by admin on Sat Dec 16 10:13:05 UTC 2023

PRIMARY

Related Record Type Details


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE

Interaction Type:

MAJOR

Related Record Type Details


					5GSZ9S7U8M

2-(4-(3-(4-METHYLSULFONYLPHENYL)-5-OXO-1-PROPYL-2H-PYRROL-4-YL)PHENYL)ACETIC ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					MZ9JNU8TWR

4-(4-(2-HYDROXYETHYL)PHENYL)-3-(4-METHYLSULFONYLPHENYL)-1-PROPYL-2H-PYRROL-5-ONE

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA

Related Record Type Details


					SGW6W5758V

IMRECOXIB

ACTIVE MOIETY