Lumiracoxib Acyl-?-D-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21ClFNO8
Molecular Weight	469.845
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Lumiracoxib Acyl-?-D-glucuronide

Structure Search

SMILES

CC1=CC(CC(=O)O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)=C(NC3=C(F)C=CC=C3Cl)C=C1

InChI

InChIKey=GEVZOJTWMGGTTK-KWLWEVDOSA-N

InChI=1S/C21H21ClFNO8/c1-9-5-6-13(24-15-11(22)3-2-4-12(15)23)10(7-9)8-14(25)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h2-7,16-19,21,24,26-28H,8H2,1H3,(H,29,30)/t16-,17+,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H21ClFNO8
Molecular Weight	469.845
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:34:27 GMT 2025` Edited by `admin` on `Wed Apr 02 20:34:27 GMT 2025`
Record UNII	GB23D58JFK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

?-D-Glucopyranuronic acid, 1-[2-[(2-chloro-6-fluorophenyl)amino]-5-methylbenzeneacetate]

Preferred Name

English

Lumiracoxib Acyl-?-D-glucuronide

Common Name

English

Code System Code Type Description

PUBCHEM

29982800

Created by admin on Wed Apr 02 20:34:27 GMT 2025 , Edited by admin on Wed Apr 02 20:34:27 GMT 2025

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FDA UNII

GB23D58JFK

Created by admin on Wed Apr 02 20:34:27 GMT 2025 , Edited by admin on Wed Apr 02 20:34:27 GMT 2025

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CAS

697287-17-5

Created by admin on Wed Apr 02 20:34:27 GMT 2025 , Edited by admin on Wed Apr 02 20:34:27 GMT 2025

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