LUMIRACOXIB-1-O-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-1-O-GLUCURONIDE

Structure Search

SMILES

CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C1

InChI

InChIKey=GEVZOJTWMGGTTK-ZFORQUDYSA-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 `Sat Dec 16 16:42:14 GMT 2023` Edited by `admin` on `Sat Dec 16 16:42:14 GMT 2023`
Record UNII	A90U254ZD0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUMIRACOXIB-1-O-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(2-(2-(2-CHLORO-6-FLUORO-ANILINO)-5-METHYL-PHENYL)ACETYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

LUMIRACOXIB METABOLITE M24

Common Name

English

Code System Code Type Description

PUBCHEM

154585084

Created by admin on Sat Dec 16 16:42:14 GMT 2023 , Edited by admin on Sat Dec 16 16:42:14 GMT 2023

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CAS

1260603-22-2

Created by admin on Sat Dec 16 16:42:14 GMT 2023 , Edited by admin on Sat Dec 16 16:42:14 GMT 2023

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FDA UNII

A90U254ZD0

Created by admin on Sat Dec 16 16:42:14 GMT 2023 , Edited by admin on Sat Dec 16 16:42:14 GMT 2023

PRIMARY

Related Record Type Details


					V91T9204HU

LUMIRACOXIB

PARENT -> METABOLITE

Qualification:

PLASMA; URINE

Amount: