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Details

Stereochemistry ACHIRAL
Molecular Formula C21H16ClN3O2S
Molecular Weight 409.889
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Chloro-2-(6-methyl-3-pyridinyl)-3-[4-(methylsulfonyl)phenyl]-1,8-naphthyridine

SMILES

CC1=NC=C(C=C1)C2=NC3=C(C=C(Cl)C=N3)C=C2C4=CC=C(C=C4)S(C)(=O)=O

InChI

InChIKey=KMVNADBESBBLJC-UHFFFAOYSA-N
InChI=1S/C21H16ClN3O2S/c1-13-3-4-15(11-23-13)20-19(10-16-9-17(22)12-24-21(16)25-20)14-5-7-18(8-6-14)28(2,26)27/h3-12H,1-2H3

HIDE SMILES / InChI

Molecular Formula C21H16ClN3O2S
Molecular Weight 409.889
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 Sat Dec 16 19:57:28 GMT 2023
Edited
by admin
on Sat Dec 16 19:57:28 GMT 2023
Record UNII
9SKY8U22UJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Chloro-2-(6-methyl-3-pyridinyl)-3-[4-(methylsulfonyl)phenyl]-1,8-naphthyridine
Systematic Name English
1,8-Naphthyridine, 6-chloro-2-(6-methyl-3-pyridinyl)-3-[4-(methylsulfonyl)phenyl]-
Systematic Name English
Etoricoxib Impurity 12
Common Name English
Code System Code Type Description
FDA UNII
9SKY8U22UJ
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
101752555
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
CAS
646459-41-8
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