Fesp F-18

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Basic information

CAS: 107340-59-0
Standard SMILES: O=C(CCCN1CCC2(CC1)C(=O)N(CC[18F])CN2c1ccccc1)c1ccc(F)cc1
InChIKey: MNARAEXGMVEFDO-KPVNRNJOSA-N
Molecular formula: C25H29F2N3O2
Average molar mass: 440.5 g/mol
Monoisotopic mass: 440.225318

Names & identifiers

Preferred name: Fesp F-18
IUPAC: 3-(2-(18F)fluoroethyl)-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Names & synonyms

Fesp F-189Z7Q3JRY8OFluoroethyl spiperone, (18F)-UNII-9Z7Q3JRY8O1,3,8-Triazaspiro(4.5)decan-4-one, 3-(2-(fluoro-18F)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-107340-59-03-(2-(Fluoro-18F)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-oneMOLI000130MOLI001489

Database identifiers

CAS: 107340-59-0
PubChem CID: 449734
UNII: 9Z7Q3JRY8O
Nikkaji: J2.441.142G

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 43.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 639

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Compound notes

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