[11C]xanomeline   Click here for help

GtoPdb Ligand ID: 3278

Synonyms: [11C]xanomeline (PET ligand)
 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 3
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 66.49
Molecular weight 281.16
XLogP 3.34
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCOc1nsnc1C1=CCCN(C1)C
Isomeric SMILES CCCCCCOc1nsnc1C1=CCCN(C1)[11CH3]
InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3/i2-1
InChI Key JOLJIIDDOBNFHW-JVVVGQRLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
{5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,3,6-tetrahydropyridin-1-yl}(11C)methylidyne
Synonyms Click here for help
[11C]xanomeline (PET ligand)
Database Links Click here for help
GtoPdb PubChem SID 178100319
PubChem CID 73755040
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