LUMIRACOXIB LACTAM 4'-O-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H19ClFNO8
Molecular Weight	467.829
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of LUMIRACOXIB LACTAM 4'-O-GLUCURONIDE

Structure Search

SMILES

CC1=CC=C2N(C(=O)CC2=C1)C3=C(Cl)C=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=C3F

InChI

InChIKey=SETAFJOLASRPRK-ZFORQUDYSA-N

InChI=1S/C21H19ClFNO8/c1-8-2-3-13-9(4-8)5-14(25)24(13)15-11(22)6-10(7-12(15)23)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h2-4,6-7,16-19,21,26-28H,5H2,1H3,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H19ClFNO8
Molecular Weight	467.829
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 16:19:41 GMT 2023` Edited by `admin` on `Sat Dec 16 16:19:41 GMT 2023`
Record UNII	R9R070C08I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUMIRACOXIB LACTAM 4'-O-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-CHLORO-4-(2,3-DIHYDRO-5-METHYL-2-OXO-1H-INDOL-1-YL)-5-FLUOROPHENYL

Systematic Name

English

LUMIRACOXIB METABOLITE M20

Common Name

English

Code System Code Type Description

FDA UNII

R9R070C08I

Created by admin on Sat Dec 16 16:19:41 GMT 2023 , Edited by admin on Sat Dec 16 16:19:41 GMT 2023

PRIMARY

PUBCHEM

154584798

Created by admin on Sat Dec 16 16:19:41 GMT 2023 , Edited by admin on Sat Dec 16 16:19:41 GMT 2023

PRIMARY

CAS

2096498-49-4

Created by admin on Sat Dec 16 16:19:41 GMT 2023 , Edited by admin on Sat Dec 16 16:19:41 GMT 2023

PRIMARY

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LUMIRACOXIB

PARENT -> METABOLITE

Amount: