Etoricoxib
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
Molecular Identity
Etoricoxib
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
PubChem CID: 123619
Etoricoxib is a member of the class of bipyridines that is 2,3'-bipyridine which is substituted at the 3, 5, and 6' positions by 4-(methylsulfonyl)phenyl, chlorine, and methyl groups, respectively. It has a role as a non-steroidal anti-inflammatory drug and a cyclooxygenase 2 inhibitor. It is a sulfone, an organochlorine compound and a member of bipyridines.
2D Structure
Properties
C18H15ClN2O2S
Molecular Formula
358.80
Molecular Weight
g/mol
358.0543
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
68.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
514
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)CIsomeric SMILES
SMILES: CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)CSynonyms(20)
Etoricoxib202409-33-4ArcoxiaMK-06635-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridineL-7914565-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridineDTXSID3046457etoricoxibumMK0663WRX4NFY03R2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-L7914565-Chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Etoricoxib
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