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Fludeoxyglucose F-18

Properties, data and information sources.

 

Contents

Fludeoxyglucose (18F) is a radioactive organic chemical compound from the group of D-Glucose derivatives: It is a 2-deoxy-2-[18F]fluoro-D-glucose labelled with the positron-emitting fluorine isotope F-18. The substance is thus a glucose analogue in which the hydroxyl group at position C2 in the glucose molecule has been replaced by 18F.

 

Names and Identifiers

Name
Fludeoxyglucose F-18
Formula
C6H1118FO5
Molar mass
181.15 (g/mol)
CAS registry number
63503-12-8
InChI Key
AOYNUTHNTBLRMT-MXWOLSILSA-N

Systematic name
(2R,3S,4R,5R)-2-(18F)Fluoranyl-3,4,5,6-tetrahydroxyhexanal

Other names, synonyms
18F-Flurodeoxyglucose; 18F Fluorodeoxyglucose; 2-Deoxy-2-(fluoro-18F)-D-glucose; 2-Deoxy-2-(18F)fluoroglucose; [18F]FDG

Trade names; preparations
Fluglucoscan; FDG-pet; FDG-F18

 

Chemical formulas

Molecular formula and structural formula of Fludeoxyglucose F-18:

 

C6H1118FO5

Mr = 181.1499 g/mol

(2R,3S,4R,5R)-2-(18F)Fluoranyl-3,4,5,6-tetrahydroxyhexanal
SMILES: C([C@H]([C@H]([C@@H]([C@H](C=O)[18F])O)O)O)O

 

Data and Properties

melting point
170 - 176 °C

 

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 Fludeoxyglucose F-18 - C6H1118FO5 - 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
Carbon6 Ar = 12.011 u
ΣAr = 72.066 u
12C: 12 u [98,94 %]
13C: 13.00335 u [1,06 %]
14C: 14.00324 u [<< 1 %] 
12C: 39.36082 %
13C: 0.42169 %
14C: trace
39.7825 %H
Hydrogen11 Ar = 1.008 u
ΣAr = 11.088 u
3H: 3.01605 u [<< 1 %]
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %] 
3H: trace
1H: 6.12028 %
2H: 0.00061 %
6.1209 %F
Fluorine1ΣAr = 18.0009373 u
18F: 18.00094 u [100 %] 
18F: 9.93704 %
9.9370 %O
Oxygen5 Ar = 15.999 u
ΣAr = 79.995 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %] 
16O: 44.05224 %
17O: 0.01694 %
18O: 0.09053 %
44.1596 %

*) 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 = 181.1499373 grams per mole.

The amount of substance in one kilogram of the substance is n = 5.52 mol.

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

Monoisotopic mass: 181.0615857492 Da - related to 12C61H1118F16O5.

 

Fludeoxyglucose F-18 as Active Ingredient

ATC Code:
V09IX04

Fludeoxyglucose(18F) is used in medicine as a radiodiagnostic agent for tumor detection. The corresponding imaging technique is 18F-positron emission tomography (18F-PET).

For detailed information on the active ingredient, see: DrugBank DB09502, NCI Thesaurus C964.

 

External Sources

PubChem:ID 68614ChemSpider:ID 396785Kegg database DBGET:ID D01843UNII of the FDA (USA):Unique Ingredient Identifier 0Z5B2CJX4DEPA CompTox Chemicals Dashboard:DTXSID50894178Other CAS RN:72582-30-0; 100343-74-6; 704915-54-8 (also used, outdated or deleted registration numbers)

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Fludeoxyglucose F-18 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: Fludeoxyglucose-18F.

 

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Last update: 2024-10-19

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