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Asem F-18

CAT: 0931-T70599-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70599-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1456878-52-6
Target
Others
Related Pathways
Others
Bioactivity
Asem F-18 is a radiolabeled antagonist for imaging the α7-nicotinic acetylcholine receptor with PET .
Smiles
O=S1(=O)C=2C(C=3C1=C([18F])C=CC3)=CC=C(C2)N4C5CCN(CC4)CC5
Molecular Formula
C19H19FN2O2S
Molecular Weight
357.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(1,4-Diazabicyclo(3.2.2)nonan-4-YL)-6-(fluoro-18F)dibenzo(B,D)-thiophene 5,5-dioxide
CAS Number1456878-52-6
PubChem CID72703475
IUPAC Name3-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(18F)fluorodibenzothiophene 5,5-dioxide
Molecular FormulaC19H19FN2O2S
Molecular Weight357.4
XLogP3
Topological Polar Surface Area49
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity613
SMILES
C1CN2CCC1N(CC2)C3=CC4=C(C=C3)C5=C(S4(=O)=O)C(=CC=C5)[18F]
InChI
InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2/i20-1
InChIKey
JIGWWGDIEUWCOR-LRFGSCOBSA-N
Chemical Structure
2D Structure
2D structure of 3-(1,4-Diazabicyclo(3.2.2)nonan-4-YL)-6-(fluoro-18F)dibenzo(B,D)-thiophene 5,5-dioxide
CAS: 1456878-52-6
CID: 72703475
Formula: C19H19FN2O2S
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass357.117661
Monoisotopic Mass357.117661
Topological Polar Surface Area49 Ų
Heavy Atom Count25
Formal Charge0
Complexity613
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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