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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

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 UTC 2023
Edited
by admin
on Sat Dec 16 16:42:14 UTC 2023
Record UNII
A90U254ZD0
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 16:42:14 UTC 2023
PRIMARY
CAS
1260603-22-2
Created by admin on Sat Dec 16 16:42:14 UTC 2023 , Edited by admin on Sat Dec 16 16:42:14 UTC 2023
PRIMARY
FDA UNII
A90U254ZD0
Created by admin on Sat Dec 16 16:42:14 UTC 2023 , Edited by admin on Sat Dec 16 16:42:14 UTC 2023
PRIMARY
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