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6-Fluoro-beta-fluoromethylene-3-tyrosine

HCID 6439486
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Basic information

CAS
145682-70-8
Standard SMILES
N[C@H](C(=O)O)/C(=C/[18F])c1cc(O)ccc1[18F]
InChIKey
QIKGNIZSFSORLL-RZTYMHDWSA-N
Molecular formula
C10H9F2NO3
Average molar mass
227.18 g/mol
Monoisotopic mass
227.060118

Overview

a potential imaging agent for dopamine nerve terminals in positron tomography; RN refers to 18F-labeled compound with no isomeric designation

Names & identifiers

Preferred name
6-Fluoro-beta-fluoromethylene-3-tyrosine
IUPAC
(E,2S)-2-amino-4-(18F)fluoro-3-(2-(18F)fluoro-5-hydroxyphenyl)but-3-enoic acid
English name
6-fluoro-beta-fluoromethylene-3-tyrosine
Molecular weight
0

Names & synonyms

6-Fluoro-beta-fluoromethylene-3-tyrosineFFMMT145682-70-86-Fluoro-beta-fluoromethylene-m-tyrosineRefChem:104640(E,2S)-2-amino-4-(18F)fluoranyl-3-(2-(18F)fluoranyl-5-hydroxyphenyl)but-3-enoic acidPhenylalanine, 2-(fluoro-18F)-beta-(fluoro-18F-methylene)-5-hydroxy-, (E)-

Database identifiers

CAS
145682-70-8
PubChem CID
6439486

Properties

Computed structural propertiesFilling in

XLogP
-1.2
Topological polar surface area
83.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
296

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