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Aceclidine

CAT: 0013-GTR19216698-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216698-01Size:1 g
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Description
Aceclidine is an agent that is used for treating glaucoma by reducing intraocular pressure.
CAS Number
827-61-2
Product Name Alternative
Glaucostat | 3-Acetoxyquinuclidine | 3-quinuclidinyl acetate | 1-azabicyclo[2.2.2]octan-3-yl acetate | Quinuclidin-3-yl acetate
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (590.95 mM)
Smiles
CC (=O) OC1CN2CCC1CC2
Molecular Formula
C9H15NO2
Molecular Weight
169.224
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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
C4635-500Aceclidine (hydrochloride)
462520Aceclidine Hydrochloride
HY-32067ASAceclidine-d3 (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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