[18F](R,R)-quinuclidinyl-4-fluoromethyl-benzilate   Click here for help

GtoPdb Ligand ID: 3275

Synonyms: (R,R)-[18F]-FMeQNB | (R,R)-quinuclidinyl-4-[18F]-fluoromethyl-benzilate | (R,R)-quinuclidinyl-4-[18F]-fluoromethylbenzilate(PET ligand) | [18F]-FMeQNB
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 49.77
Molecular weight 369.17
XLogP 3.49
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FCc1ccc(cc1)C(c1ccccc1)(C(=O)OC1CN2CCC1CC2)O
Isomeric SMILES [18F]Cc1ccc(cc1)[C@](c1ccccc1)(C(=O)O[C@H]1CN2CCC1CC2)O
InChI InChI=1S/C22H24FNO3/c23-14-16-6-8-19(9-7-16)22(26,18-4-2-1-3-5-18)21(25)27-20-15-24-12-10-17(20)11-13-24/h1-9,17,20,26H,10-15H2/t20-,22+/m0/s1/i23-1
InChI Key WYNSCFORRAXQPA-IFWCHYDGSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(3R)-1-azabicyclo[2.2.2]octan-3-yl (2R)-2-{4-[(18F)fluoromethyl]phenyl}-2-hydroxy-2-phenylacetate
Synonyms Click here for help
(R,R)-[18F]-FMeQNB | (R,R)-quinuclidinyl-4-[18F]-fluoromethyl-benzilate | (R,R)-quinuclidinyl-4-[18F]-fluoromethylbenzilate(PET ligand) | [18F]-FMeQNB
Database Links Click here for help
GtoPdb PubChem SID 178100316
PubChem CID 73755039
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