U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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=C(N=CC(Cl)=C2)C3=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 Sat Dec 16 19:57:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:28 GMT 2023
Record UNII
L5ZWP8BLT7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Chloro-6′-methyl-3-[4-(methylsulfinyl)phenyl]-2,3′-bipyridine
Systematic Name English
Etoricoxib Impurity 10
Common 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 Sat Dec 16 19:57:28 GMT 2023 , Edited by admin on Sat Dec 16 19:57:28 GMT 2023
PRIMARY
PUBCHEM
9906073
Created by admin on Sat Dec 16 19:57:28 GMT 2023 , Edited by admin on Sat Dec 16 19:57:28 GMT 2023
PRIMARY
FDA UNII
L5ZWP8BLT7
Created by admin on Sat Dec 16 19:57:28 GMT 2023 , Edited by admin on Sat Dec 16 19:57:28 GMT 2023
PRIMARY