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Details

Stereochemistry ACHIRAL
Molecular Formula C9H9O4S.Li
Molecular Weight 220.171
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Etoricoxib Impurity 5 Lithium Salt

SMILES

[Li+].CS(=O)(=O)C1=CC=C(CC([O-])=O)C=C1

InChI

InChIKey=JDRGJANUOSIAKA-UHFFFAOYSA-M
InChI=1S/C9H10O4S.Li/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11;/h2-5H,6H2,1H3,(H,10,11);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Li
Molecular Weight 6.941
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H9O4S
Molecular Weight 213.23
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:51:52 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:52 GMT 2025
Record UNII
FTB2F59BRG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Etoricoxib Impurity 5 Lithium Salt
Common Name English
Benzeneacetic acid, 4-(methylsulfonyl)-, lithium salt (1:1)
Preferred Name English
Code System Code Type Description
CAS
1421227-96-4
Created by admin on Wed Apr 02 17:51:52 GMT 2025 , Edited by admin on Wed Apr 02 17:51:52 GMT 2025
PRIMARY
PUBCHEM
117776912
Created by admin on Wed Apr 02 17:51:52 GMT 2025 , Edited by admin on Wed Apr 02 17:51:52 GMT 2025
PRIMARY
FDA UNII
FTB2F59BRG
Created by admin on Wed Apr 02 17:51:52 GMT 2025 , Edited by admin on Wed Apr 02 17:51:52 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE