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A-366833

CAT: 0931-T29509-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29509-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
370882-41-0
Target
Others
Related Pathways
Others
Bioactivity
A-366833 is a novel nicotinic acetylcholine receptor (NACHR) ligand developed by Abbott that binds to the agonist binding site ([3H]-cytisine) with a Ki value of 3.1 nM and shows agonist selectivity for alpha4beta2 NACHR.
Smiles
C(#N)C1=CC(N2[C@]3([C@@](C2)(CNC3)[H])[H])=CN=C1
Molecular Formula
C11H12N4
Molecular Weight
200.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-366833
CAS Number370882-41-0
PubChem CID9942427
IUPAC Name5-[(1R,5S)-3,6-diazabicyclo[3.2.0]heptan-6-yl]pyridine-3-carbonitrile
Molecular FormulaC11H12N4
Molecular Weight200.24
XLogP0.1
Topological Polar Surface Area52
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity294
SMILES
C1[C@@H]2CN([C@@H]2CN1)C3=CN=CC(=C3)C#N
InChI
InChI=1S/C11H12N4/c12-2-8-1-10(5-13-3-8)15-7-9-4-14-6-11(9)15/h1,3,5,9,11,14H,4,6-7H2/t9-,11-/m1/s1
InChIKey
GPXAWLDGWSBLKM-MWLCHTKSSA-N
Chemical Structure
2D Structure
2D structure of A-366833
CAS: 370882-41-0
CID: 9942427
Formula: C11H12N4
MW: 200.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.24
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass200.106196400
Monoisotopic Mass200.106196400
Topological Polar Surface Area52 Ų
Heavy Atom Count15
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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