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Aceclidine

CAT: 0804-HY-32067-07Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-32067-07Size:25 g
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Description
Aceclidine (Quinuclidin-3-yl acetate) is a modulator of M3 muscarinic acetylcholine receptor and a M1 receptor agonist (EC50: 40 μM) . Aceclidine is a cycloplegic agent, a surfactant, a tonicity adjustor and optionally a viscosity enhancer and an antioxidant. Aceclidine has the potential for the research of disorders such as refractive errors of the eye, xerostomia, Sjogren's syndrome, glaucoma, conjunctivitis, lacrimal gland disease, and esotropia[1][2][3].
CAS Number
827-61-2
Product Name Alternative
Quinuclidin-3-yl acetate
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/aceclidine.html
Purity
99.93
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(OC1C[N@@]2CC[C@H]1CC2)=O
Molecular Formula
C9H15NO2
Molecular Weight
169.22
Precautions
H302, H315, H319, H335
References & Citations
[1]Gerald Horn, et al. Storage Stable Compositions and Methods for the Treatment of Refractive Errors of the Eye. Patent US20150290125A1.|[2]Thomas G. Gant, et al. Imidazole modulators of muscarinic acetylcholine receptor m3. Patent US20110091459A1.|[3]Cui Y, et al. Enhancement of memory function in aged mice by a novel derivative of xanomeline. Cell Res. 2008 Nov;18 (11) :1151-3. |[4]Hagan JJ, et al. Hemicholinium-3 impairs spatial learning and the deficit is reversed by cholinomimetics. Psychopharmacology (Berl) . 1989;98 (3) :347-56.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
MAChR1; mAChR3

Chemical Information

Aceclidine

Acetic acid 1-azabicyclo[2.2.2]octan-3-yl ester is a member of quinuclidines.

CAS Number827-61-2
PubChem CID1979
IUPAC Name1-azabicyclo[2.2.2]octan-3-yl acetate
Molecular FormulaC9H15NO2
Molecular Weight169.22
XLogP0.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity185
SMILES
CC(=O)OC1CN2CCC1CC2
InChI
InChI=1S/C9H15NO2/c1-7(11)12-9-6-10-4-2-8(9)3-5-10/h8-9H,2-6H2,1H3
InChIKey
WRJPSSPFHGNBMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Aceclidine
CAS: 827-61-2
CID: 1979
Formula: C9H15NO2
MW: 169.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.22
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass169.110278721
Monoisotopic Mass169.110278721
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity185
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M27183-01Aceclidine
462520Aceclidine Hydrochloride
C4635-500Aceclidine (hydrochloride)
571497Aceclidine free base
GAA82159-01Aceclidine DL-3-acetoxyquinuclidine salicylate
MBS6088649-01Aceclidine, Hydrochloride (3-Acetyloxy-1-azabicyclo[2,2,2]octane, Hydrochloride)

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