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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H21N3O2S
Molecular Weight 367.465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N,6?-Trimethyl-3-[4-(methylsulfonyl)phenyl][2,3?-bipyridin]-5-amine

SMILES

CN(C)C1=CN=C(C2=CN=C(C)C=C2)C(=C1)C3=CC=C(C=C3)S(C)(=O)=O

InChI

InChIKey=MVGZGZDEQNNYMW-UHFFFAOYSA-N
InChI=1S/C20H21N3O2S/c1-14-5-6-16(12-21-14)20-19(11-17(13-22-20)23(2)3)15-7-9-18(10-8-15)26(4,24)25/h5-13H,1-4H3

HIDE SMILES / InChI

Molecular Formula C20H21N3O2S
Molecular Weight 367.465
Charge 0
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 17:51:53 GMT 2025
Edited
by admin
on Wed Apr 02 17:51:53 GMT 2025
Record UNII
2DHK2VE797
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N,6?-Trimethyl-3-[4-(methylsulfonyl)phenyl][2,3?-bipyridin]-5-amine
Systematic Name English
Etoricoxib Impurity 7
Preferred Name English
[2,3?-Bipyridin]-5-amine, N,N,6?-trimethyl-3-[4-(methylsulfonyl)phenyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
71379374
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
2DHK2VE797
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
DTXSID30801946
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
CAS
646459-39-4
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