Edasalonexent
N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]-2-hydroxybenzamide
Molecular Identity
Edasalonexent
N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]-2-hydroxybenzamide
PubChem CID: 44626120
2D Structure
Properties
C31H42N2O3
Molecular Formula
490.70
Molecular Weight
g/mol
490.3195
Exact Mass
Da
7.1
XLogP
Above Lipinski threshold
78.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
762
Complexity
SMILES
Canonical SMILES
SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCNC(=O)C1=CC=CC=C1OIsomeric SMILES
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)C1=CC=CC=C1OSynonyms(20)
Edasalonexent1204317-86-1AF3Z6434KSCAT1004Benzamide, 2-hydroxy-N-(2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl)amino)ethyl)-N-(2-((4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenamido)ethyl)-2-hydroxybenzamideRefChem:136276(4Z,7Z,10Z,13Z,16Z,19Z)-N-(2-((2-hydroxyphenyl)formamido)ethyl)docosa-4,7,10,13,16,19-hexaenamideCAT-1004Edasalonexent [INN]Edasalonexent [USAN]N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]-2-hydroxybenzamideEdasalonexentoEdasalonexent [WHO-DD]Edasalonexent (USAN/INN)
Data from PubChem (NCBI)
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