Ioflupane
methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular Identity
Ioflupane
methyl (1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
PubChem CID: 10048368
2D Structure
Properties
C18H23FINO2
Molecular Formula
431.30
Molecular Weight
g/mol
431.0758
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: Synonyms(20)
IoflupaneNMA-78RTI-313J731.794HVF232WE742RTI 313(1R,2S,3S,5S)-8-(3-fluoropropyl)-3-(4-iodophenyl)-8-azabicyclo(3,2,1)octane-2-carboxylic acid methyl estermethyl (1S,3S,4S,5R)-8-(3-fluoropropyl)-3-(4-iodanylphenyl)-8-azabicyclo(3.2.1)octane-4-carboxylateRefChem:860808-azabicyclo(3,2,1)octane-2-carboxylic acid, 8-(3-fluoropropyl)-3-(4-iodophenyl)-, methyl ester, (1R-(exo,exo))-beta-Cit-FP155797-99-2.beta.-cit-fpMETHYL (1R,2S,3S,5S)-8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLATECITFP
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Ioflupane
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