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Epiboxidine

CAT: 0013-GTR19221483-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221483-02Size:50 mg
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Description
Epiboxidine is a methylisoxazole analog of epibatidine and a potent, selective agonist for neuronal α4β2 nicotinic acetylcholine receptors (nAChRs) . It demonstrates high affinity with Ki values of 0.46 nM (rat) and 1.2 nM (human) . This compound is a valuable research tool for studying nAChR function in neuropharmacology and related in vitro assays.
CAS Number
188895-96-7
Field of Research
Neuroscience
Smiles
[H][C@@]12CC[C@@] ([H]) (N1) [C@H] (C2) c1cc (C) no1
Molecular Formula
C10H14N2O
Molecular Weight
178.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Epiboxidine

an isoxazole analog of epibatidine; less toxic than epibatidine; structure given in first source

CAS Number188895-96-7
PubChem CID5747670
IUPAC Name5-[(1R,2S,4S)-7-azabicyclo[2.2.1]heptan-2-yl]-3-methyl-1,2-oxazole
Molecular FormulaC10H14N2O
Molecular Weight178.23
XLogP1.2
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity209
SMILES
CC1=NOC(=C1)[C@H]2C[C@@H]3CC[C@H]2N3
InChI
InChI=1S/C10H14N2O/c1-6-4-10(13-12-6)8-5-7-2-3-9(8)11-7/h4,7-9,11H,2-3,5H2,1H3/t7-,8-,9+/m0/s1
InChIKey
GEEFPQBPVBFCSD-XHNCKOQMSA-N
Chemical Structure
2D Structure
2D structure of Epiboxidine
CAS: 188895-96-7
CID: 5747670
Formula: C10H14N2O
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass178.110613074
Monoisotopic Mass178.110613074
Topological Polar Surface Area38.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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