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155798-07-5

155798-07-5 structural image
Product Name: 8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, 8-(3-FLUOROPROPYL)-3-(4-IODOPHENYL)-, METHYL ESTER (1R,2S,3S,5S)-
Formula: C18H23FINO2
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CHEMICAL AND PHYSICAL PROPERTIES

Melting Point 82-83
Solubility Soluble in water

COMPUTED DESCRIPTORS

Molecular Weight 427.3 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 427.07687 g/mol
Monoisotopic Mass 427.07687 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 414
Isotope Atom Count 1
Defined Atom Stereocenter Count 4
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ioflupane I(123) is an azabicycloalkane that is ecgonine methyl ester in which the N-methyl group is replaced by 3-fluoropropyl and the 3beta-hydroxy group is replaced by 4-((123)I)iodophenyl. Used for the imaging of dopamine transporters in the brain of adult patients with potential Parkinsonian Syndromes. It has a role as a radioactive imaging agent and a radiopharmaceutical. It is an azabicycloalkane, an organofluorine compound and a methyl ester. It is functionally related to an ecgonine.