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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

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 UTC 2023
Edited
by admin
on Sat Dec 16 16:19:41 UTC 2023
Record UNII
R9R070C08I
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 16:19:41 UTC 2023
PRIMARY
PUBCHEM
154584798
Created by admin on Sat Dec 16 16:19:41 UTC 2023 , Edited by admin on Sat Dec 16 16:19:41 UTC 2023
PRIMARY
CAS
2096498-49-4
Created by admin on Sat Dec 16 16:19:41 UTC 2023 , Edited by admin on Sat Dec 16 16:19:41 UTC 2023
PRIMARY
Related Record Type Details
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