(18F)Spa-RQ
(2S,3S)-N-[[2-((18F)fluoromethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
Molecular Identity
(18F)Spa-RQ
(2S,3S)-N-[[2-((18F)fluoromethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine
PubChem CID: 6914513
2D Structure
Properties
C21H22F4N6O
Molecular Formula
449.40
Molecular Weight
g/mol
449.1817
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
76.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
579
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(C(NC1)C2=CC=CC=C2)NCC3=C(C=CC(=C3)N4C(=NN=N4)C(F)(F)F)OCFIsomeric SMILES
SMILES: C1C[C@@H]([C@@H](NC1)C2=CC=CC=C2)NCC3=C(C=CC(=C3)N4C(=NN=N4)C(F)(F)F)OC[18F]Synonyms(20)
[18F]SPA-RQ(18F)SPA-RQ(18F)-(2-fluoromethoxy-5-(5-trifluoromethyltetrazol-1-yl)benzyl)(2-phenylpiperidin-3-yl)amine(2S,3S)-N-[[2-(fluoranylmethoxy)-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methyl]-2-phenylpiperidin-3-amine(2S,3S)-N-((2-(fluoranylmethoxy)-5-(5-(trifluoromethyl)tetrazol-1-yl)phenyl)methyl)-2-phenylpiperidin-3-amineRefChem:905668L-829165 F-18262598-99-24YL3GT1EV9SPA-RQ F-18(18F)-SPA-RQ[18F]-SPA-RQSubstance P antagonist receptor quantifier F-18UNII-4YL3GT1EV9(18F)-L-829165
Data from PubChem (NCBI)
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