Ioflupane F-18
Basic information
- CAS
186381-69-1- Standard SMILES
COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCC[18F]- InChIKey
HXWLAJVUJSVENX-LNYNZGDVSA-N- Molecular formula
- C18H23FINO2
- Average molar mass
- 430.3 g/mol
- Monoisotopic mass
- 430.07829
Names & identifiers
- Preferred name
- Ioflupane F-18
- IUPAC
- methyl (1R,2S,3S,5S)-8-(3-(18F)fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Names & synonyms
Ioflupane F-18NT4P0L3OCX(18F)FP-CIT18F-FP-beta-CITUNII-NT4P0L3OCX18F-IOFLUPANE18F-BETA-CIT-FP18F-FPCIT18F-CIT-FPF-18-FPCITFP-CIT F-1818F-FP-.BETA.-CIT
Show more names
186381-69-118FLUORINE-N-3-FLUOROPROPYL-2BETA-CARBOMETHOXY-3BETA-(4-IODOPHENYL) NORTROPANE8-AZABICYCLO(3.2.1)OCTANE-2-CARBOXYLIC ACID, 8-(3-(FLUORO-18F)PROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER, (1R,2S,3S,5S)-METHYL (1S,3S,4S,5R)-8-(3-FLUORANYLPROPYL)-3-(4-IODOPHENYL)-8-AZABICYCLO(3.2.1)OCTANE-4-CARBOXYLATERefChem:148581SCHEMBL29548474Q27896023
Database identifiers
- CAS
186381-69-1- PubChem CID
- 11626128
- UNII
- NT4P0L3OCX
- Nikkaji
- J3.162.592K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 414
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Compound notes
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