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AZD4694 Precursor

CAT: 0013-GTR19221471-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221471-01Size:5 mg
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Description
AZD4694 Precursor (AZ13040214) is the non-radiolabeled building block for the production of [18F]AZD4694, a positron emission tomography (PET) tracer. This high-affinity ligand is used in preclinical and clinical research for the in vivo imaging and quantification of cerebral amyloid-β plaques in Alzheimer's disease studies.
CAS Number
1211333-20-8
Field of Research
Neuroscience
Smiles
CCOCOc1ccc2oc (cc2c1) -c1ccc (nc1N (=O) =O) N (C) C (=O) OC (C) (C) C
Molecular Formula
C22H25N3O7
Molecular Weight
443.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AZD4694 Precursor
CAS Number1211333-20-8
PubChem CID46183972
IUPAC Nametert-butyl N-[5-[5-(ethoxymethoxy)-1-benzofuran-2-yl]-6-nitro-2-pyridinyl]-N-methylcarbamate
Molecular FormulaC22H25N3O7
Molecular Weight443.4
XLogP4.4
Topological Polar Surface Area120
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity650
SMILES
CCOCOC1=CC2=C(C=C1)OC(=C2)C3=C(N=C(C=C3)N(C)C(=O)OC(C)(C)C)[N+](=O)[O-]
InChI
InChI=1S/C22H25N3O7/c1-6-29-13-30-15-7-9-17-14(11-15)12-18(31-17)16-8-10-19(23-20(16)25(27)28)24(5)21(26)32-22(2,3)4/h7-12H,6,13H2,1-5H3
InChIKey
YDLUIXGYKWYMMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AZD4694 Precursor
CAS: 1211333-20-8
CID: 46183972
Formula: C22H25N3O7
MW: 443.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass443.16925015
Monoisotopic Mass443.16925015
Topological Polar Surface Area120 Ų
Heavy Atom Count32
Formal Charge0
Complexity650
Isotope Atom Count0
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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