Ioflupane I-123
methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Identity
Ioflupane I-123
methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID: 3086674
2D Structure
Properties
C18H23FINO2
Molecular Formula
427.30
Molecular Weight
g/mol
427.0769
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
29.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
414
Complexity
SMILES
Canonical SMILES
SMILES: COC(=O)C1C2CCC(N2CCCF)CC1C3=CC=C(C=C3)IIsomeric SMILES
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCF)C[C@@H]1C3=CC=C(C=C3)[123I]Synonyms(20)
IOFLUPANE I 123IOFLUPANE I-123ioflupane (123I)123I-IoflupaneDaTSCAN123I-FP-CIT155798-07-5ioflupane I(123)V-09AB03ioflupane ((123)I)V09AB03Ioflupane (123l)Ioflupane, i-123ioflupano (123I)Fp-cit i-123
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ioflupane I-123
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