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105851-17-0

Basic Information
CAS No.: 105851-17-0
Name: Fludeoxyglucose F 18
Article Data: 28
Molecular Structure:
Molecular Structure of 105851-17-0 (Fludeoxyglucose F 18)
Formula: C6H11 F O5
Molecular Weight: 181.15
Synonyms: Fludeoxyglucose(18F); Fludeoxyglucose F 18
Density: 1.59 g/cm3
Boiling Point: 413.6 °C at 760 mmHg
Flash Point: 186.3 °C
PSA: 90.15000
LogP: -2.24420
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Chemistry


IUPAC Name: (2S,3R,4S,5S,6R)-3-Fluoranyl-6-(hydroxymethyl)oxane-2,4,5-triol
Canonical SMILES: C(C1C(C(C(C(O1)O)F)O)O)O
Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)[18F])O)O)O
InChI: InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1/i7-1
InChIKey: ZCXUVYAZINUVJD-AHXZWLDOSA-N
Molecular Weight: 181.149478 [g/mol]
Molecular Formula: C6H11FO5
XLogP3-AA: -1.6
H-Bond Donor: 4
H-Bond Acceptor: 6 
Index of Refraction: 1.535
Molar Refractivity: 35.66 cm3
Molar Volume: 114.4 cm3
Surface Tension: 67.5 dyne/cm
Density: 1.59 g/cm3 
Melt. point: 170–176 °C (338–349 °F)
Classification Code of Fludeoxyglucose F 18 (CAS NO.105851-17-0): Diagnostic aid; Radioactive agent; Radiopharmaceuticals

History

In the 1970s, Tatsuo Ido and Al Wolf at the Brookhaven National Laboratory were the first to describe the synthesis of 18F-FDG. The compound was first administered to two normal human volunteers by Abass Alavi in August, 1976 at the University of Pennsylvania. Brain images obtained with an ordinary (non-PET) nuclear scanner demonstrated the concentration of 18F-FDG in that organ.

Uses

 Fludeoxyglucose F 18 (CAS NO.105851-17-0) is a radiopharmaceutical used in the medical imaging modality positron emission tomography (PET). Chemically, it is 2-Deoxy-2-(18F)fluoro-D-glucose, a glucose analog, with the positron-emitting radioactive isotope Fluorine-18 substituted for the normal hydroxyl group at the 2' position in the glucose molecule. In PET imaging, it can be used for the assessment of glucose metabolism in the heart, lungs, and the brain. It is also used for imaging tumours in oncology, where usually dynamic images are analysed in terms of Standardized Uptake Values. It has also been approved for use in diagnosing Alzheimer's disease.

Specification

  Fludeoxyglucose F 18 (CAS NO.105851-17-0), its Synonyms are alpha-D-Glucopyranose, 2-deoxy-2-(fluoro-(sup 18)F)- ; 18FDG ; 2-(Fluoro-18F)-2-deoxy-alpha-glucopyranose ; 2-Deoxy-2-fluoro-(sup 18)F-alpha-D-glucopyranose ; F-18 FDG ; Fludeoxyglucose (18F) .