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Florbenguane

Properties, data and information sources.

 

Contents

Florbenguane is an organic chemical compound from the group of guanidine derivatives; it is a substance isotopological to 3-fluorobenzylguanidine, in which the F atom - in the natural isotopic composition - has been substituted by the radioactive fluorine-18.

 

Names and Identifiers

Name
Florbenguane
Formula
C8H1018FN3
C8H1018FN3
Molar mass
166.19 (g/mol)
CAS registry number
156021-12-4
InChI Key
HNPHEZIYSZIWHH-RVRFMXCPSA-N

Systematic name
2-[(3-(18F)Fluoranylphenyl)methyl]guanidine

Other names, synonyms
m-(18F)-Fluorobenzylguanidine; N-{[3-(18F)Fluorophenyl]methyl}guanidine; Florbenguane F18; Meta-fluoro benzylguanidine F-18

Abbreviation
18F-MFBG

Latin name
Florbenguanum

Trade names; preparations
IRP-101

 

Chemical formulas

Molecular formula and structural formula of Florbenguane:

 

C8H1018FN3 oder C8H1018FN3

Mr = 166.1899 g/mol

2-[(3-(18F)Fluoranylphenyl)methyl]guanidine
SMILES: C1=CC(=CC(=C1)[18F])CN=C(N)N

 

Spectroscopic data:

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Florbenguane - C8H1018FN3 - calculated based on molecular mass.

Symbol
Element ENumber x
of atoms ExData of the element
and isotopes *Percentages
of isotopesPercentage of
Ex in formula massC
Carbon8 Ar = 12.011 u
ΣAr = 96.088 u
12C: 12 u [98,94 %]
13C: 13.00335 u [1,06 %]
14C: 14.00324 u [<< 1 %] 
12C: 57.20531 %
13C: 0.61287 %
14C: trace
57.8182 %H
Hydrogen10 Ar = 1.008 u
ΣAr = 10.08 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %] 
3H: trace
1H: 6.06474 %
2H: 0.00061 %
6.0653 %F
Fluorine1ΣAr = 18.0009373 u
18F: 18.00094 u [100 %] 
18F: 10.83154 %
10.8315 %N
Nitrogen3 Ar = 14.007 u
ΣAr = 42.021 u
14N: 14.00307 u [99,6205 %]
15N: 15.00011 u [0,3795 %] 
14N: 25.18897 %
15N: 0.09596 %
25.2849 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 166.1899373 grams per mole.

The amount of substance in one kilogram of the substance is n = 6.017 mol.

The amount of substance in one gram of the substance is n = 0.006 mol.

Monoisotopic mass: 166.08840963475 Da - related to 12C81H1018F14N3.

 

Florbenguane as Active Ingredient

International Non-Proprietary Name (INN): Florbenguane. Latin name: Florbenguanum.

Florbenguane is an experimental radiopharmaceutical; in detail, it is a radioconjugate of the positron-emitting radioisotope fluorine F18 labelled with benzylguanidine, a synthetic analogue of the adrenergic neurotransmitter norepinephrine. The radiodiagnostic agent can potentially be used for diagnostic imaging of cells expressing the human norepinephrine transporter (hNET), either by positron emission tomography (PET) or computed tomography (CT). After administration, florbenguane is taken up by the granules of chromaffin adrenal medulla cells and the presynaptic granules of adrenergic neurons, where it accumulates in an almost identical manner to noradrenaline.

For detailed information on the active ingredient, see: DrugBank DB17128, NCI Thesaurus C120311.

 

External Sources

PubChem:ID 450547ChemSpider:ID 396824UNII of the FDA (USA):Unique Ingredient Identifier CD7WXM716P

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Florbenguane as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 

Literature Sources

[0] - Specialist and research articles in scientific journals via PubMed: Fluorobenzylguanidine.

 

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isotopes

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Last update: 2024-10-19

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