18F-RoSMALS
(2,2,3,3,4,4-hexadeuterio-4-(18F)fluorobutyl) 2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
Molecular Identity
18F-RoSMALS
(2,2,3,3,4,4-hexadeuterio-4-(18F)fluorobutyl) 2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate
PubChem CID: 169490852
2D Structure
Properties
C25H38FN3O6
Molecular Formula
500.60
Molecular Weight
g/mol
500.3147
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
688
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(5)
18F-RoSMALSNTR89S6ATP[18F]RoSMA-18-d6[18F]-RoSMA-18-d64-[18F]Fluorobutyl-2-ethyl-2-[[6-[[(1S,2S)-2-(hydroxymethyl)cyclopropyl]methoxy]-5-(3-methoxyazetidin-1-yl)pyridine-2-carbonyl]amino]butanoate-d6
Data from PubChem (NCBI)
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