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Florbenazine (18F)

Properties, data and information sources.

 

Contents

Names and Identifiers

Name
Florbenazine (18F)
Formula
C21H3218FNO3
Molar mass
364.492 (g/mol)
CAS registry number
956903-29-0
InChI Key
GNKGXQHHUUEYQV-WTHAECTESA-N

Systematic name
(2R,3R,11bR)-9-(3-(18F)Fluoranylpropoxy)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol

Abbreviation
18F-AV-133

Latin name
Forbenazinum (18F)

Trade names; preparations
18F-AV-133; 18f-DTBZ

 

Chemical formulas

Molecular formula and structural formula of Florbenazine (18F):

 

C21H3218FNO3

Mr = 364.4919 g/mol

(2R,3R,11bR)-9-(3-(18F)Fluoranylpropoxy)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
SMILES: CC(C)C[C@@H]1CN2CCC3=CC(=C(C=C3[C@H]2C[C@H]1O)OC)OCCC[18F]

 

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 Florbenazine (18F) - C21H3218FNO3 - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
21 Ar = 12.011 u
ΣAr = 252.231 u
12C: 12 u [98,94 %]
13C: 13.00335 u [1,06 %]
14C: 14.00324 u [<< 1 %]
 
12C: 68.46718 %
13C: 0.73353 %
14C: trace
69.2007 %H
Hydrogen
32 Ar = 1.008 u
ΣAr = 32.256 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
 
3H: trace
1H: 8.84869 %
2H: 0.00088 %
8.8496 %F
Fluorine
1ΣAr = 18.0009373 u
18F: 18.00094 u [100 %]
 
18F: 4.93864 %
4.9386 %N
Nitrogen
1ΣAr = 14.007 u
14N: 14.00307 u [99,6205 %]
15N: 15.00011 u [0,3795 %]
 
14N: 3.8283 %
15N: 0.01458 %
3.8429 %O
Oxygen
3 Ar = 15.999 u
ΣAr = 47.997 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 13.13619 %
17O: 0.00505 %
18O: 0.02699 %
13.1682 %

*) 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 = 364.4919373 grams per mole.

The amount of substance in one kilogram of the substance is n = 2.744 mol.

The amount of substance in one gram of the substance is n = 0.003 mol.

Monoisotopic mass: 364.23915619165 Da - related to 12C211H3218F14N16O3.

 

Florbenazine (18F) as Active Ingredient

International Non-Proprietary Name (INN): Florbenazine (18F). Latin name: Forbenazinum (18F).

Florbenazine-(18F) is an experimental drug being investigated for its suitability for 18F-positron emission tomography (18F-PET).

The substance is a radioconjugate consisting of the vesicular monoamine transporter 2 (VMAT2)-targeting drug florbenazine, an analogue of dihydrotetrabenazine, labelled with the positron-emitting radioisotope fluorine-18. Florbenazine-18F has potential for use as a tracer in positron emission tomography (PET).

After administration, florbenazine-18F binds to VMAT expressed on monoamine neurons and pancreatic beta cells in the islets of Langerhans. PET imaging can detect VMAT2-expressing cells and determine the level of functional monoamine neurons, which can be used to diagnose neurodegenerative diseases. In addition, this radiotracer could be used to assess the function of pancreatic beta cells. VMAT2, a transporter that loads monoamine neurotransmitters into secretory vesicles, is secreted on biogenic amine-containing neurons in the central nervous system (CNS) and in the beta cells of the pancreas.

For detailed information on the active ingredient, see: DrugBank DB14945, NCI Thesaurus C171883.

 

External Sources

PubChem:ID 17755050ChemSpider:ID 26338549Kegg database DBGET:ID D09902UNII of the FDA (USA):Unique Ingredient Identifier KM31LBX59HEPA CompTox Chemicals Dashboard:DTXSID50241926

 

Manufacturers and Sources of Supply

Florbenazine (18F) as a commercial product from internationally active suppliers and search for analogues see: ZINC000100529342.

The table below lists producers and suppliers of Florbenazine (18F) 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: Florbenazine_18F.

 


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Last update: 2024-10-19


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