Molecular Identity
Talniflumate
(3-oxo-1H-2-benzofuran-1-yl) 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
PubChem CID: 48229
2-[3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid (3-oxo-1H-isobenzofuran-1-yl) ester is a member of benzofurans.
2D Structure
Properties
C21H13F3N2O4
Molecular Formula
414.30
Molecular Weight
g/mol
414.0827
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
77.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
644
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)FIsomeric SMILES
SMILES: C1=CC=C2C(=C1)C(OC2=O)OC(=O)C3=C(N=CC=C3)NC4=CC=CC(=C4)C(F)(F)FSynonyms(20)
Talniflumate66898-62-2SomalgenTalniflumatoBA 7602-06TalniflumatumDTXSID3046740Ba-7602-06JFK78S0U9SDTXCID1026740RefChem:8910403-oxo-1,3-dihydro-2-benzofuran-1-yl 2-((3-(trifluoromethyl)phenyl)amino)pyridine-3-carboxylateLomucinTalniflumatum [INN-Latin]UNII-JFK78S0U9S
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Talniflumate
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