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Azepexole

CAT: 0931-T69367-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69367-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36067-73-9
Target
Others, Adrenergic Receptor
Related Pathways
Neuroscience, Others, GPCR/G Protein
Bioactivity
Azepexole is a selective α2-adrenoceptor agonist that exhibits greater than 300-fold selectivity for the α2-adrenoceptor over the α1-adrenoceptor.
Smiles
NC1=NC2=C(CCN(CC)CC2)O1
Molecular Formula
C9H15N3O
Molecular Weight
181.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azepexole

Azepexole is a small molecule drug. Azepexole has a monoisotopic molecular weight of 181.12 Da.

CAS Number36067-73-9
PubChem CID2277
IUPAC Name6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
Molecular FormulaC9H15N3O
Molecular Weight181.23
XLogP0.8
Topological Polar Surface Area55.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity176
SMILES
CCN1CCC2=C(CC1)OC(=N2)N
InChI
InChI=1S/C9H15N3O/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7/h2-6H2,1H3,(H2,10,11)
InChIKey
ZNXAJGZPUQOEDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azepexole
CAS: 36067-73-9
CID: 2277
Formula: C9H15N3O
MW: 181.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.23
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass181.121512110
Monoisotopic Mass181.121512110
Topological Polar Surface Area55.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity176
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

Alternative Products

CatalogName
MBS5811916Azepexole
MBS5802260Azepexole hydrochloride
HY-103212AAzepexole (hydrochloride)
HY-103212Azepexole (dihydrochloride)

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