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Details

Stereochemistry RACEMIC
Molecular Formula C18H15ClN2OS
Molecular Weight 342.843
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chloro-6?-methyl-3-[4-(methylsulfinyl)phenyl]-2,3?-bipyridine

SMILES

C[S+]([O-])C1=CC=C(C=C1)C2=CC(Cl)=CN=C2C3=CN=C(C)C=C3

InChI

InChIKey=SLXXLDBGJKCVGS-UHFFFAOYSA-N
InChI=1S/C18H15ClN2OS/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22/h3-11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C18H15ClN2OS
Molecular Weight 342.843
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:51:53 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:53 GMT 2025
Record UNII
L5ZWP8BLT7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Etoricoxib Impurity 10
Preferred Name English
5-Chloro-6?-methyl-3-[4-(methylsulfinyl)phenyl]-2,3?-bipyridine
Systematic Name English
2,3?-Bipyridine, 5-chloro-6?-methyl-3-[4-(methylsulfinyl)phenyl]-
Systematic Name English
Code System Code Type Description
CAS
316149-01-6
Created by admin on Wed Apr 02 17:51:53 GMT 2025 , Edited by admin on Wed Apr 02 17:51:53 GMT 2025
PRIMARY
PUBCHEM
9906073
Created by admin on Wed Apr 02 17:51:53 GMT 2025 , Edited by admin on Wed Apr 02 17:51:53 GMT 2025
PRIMARY
FDA UNII
L5ZWP8BLT7
Created by admin on Wed Apr 02 17:51:53 GMT 2025 , Edited by admin on Wed Apr 02 17:51:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID30432673
Created by admin on Wed Apr 02 17:51:53 GMT 2025 , Edited by admin on Wed Apr 02 17:51:53 GMT 2025
PRIMARY