Indobufen
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
Molecular Identity
Indobufen
2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]butanoic acid
PubChem CID: 107641
Indobufen is a member of isoindoles.
2D Structure
Properties
C18H17NO3
Molecular Formula
295.30
Molecular Weight
g/mol
295.1208
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
57.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
428
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)OIsomeric SMILES
SMILES: CCC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)OSynonyms(20)
Indobufen63610-08-2IbustrinIndobufeneIndobufenumK-3920DTXSID70577892-(4-(1-Oxo-2-isoindolinyl)phenyl)butyric acid6T9949G4LZBenzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-alpha-ethyl-DTXCID8031578K-29301-Oxo-2-(p-((alpha-ethyl)carboxymethyl)phenyl)isoindoline2-[4-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]butanoic acid4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-alpha-ethylbenzeneacetic acid
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Indobufen
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