Aceclidine - CAS 827-61-2

Catalog:	BB036900
Product Name:	Aceclidine
CAS:	827-61-2
Synonyms:	Quinuclidin-3-yl acetate; 3-Acetoxyquinuclidine; Glaucostat; 3-Quinuclidinol acetate (ester); NSC 657843

Technical Data

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Computed Properties

IUPAC Name:	1-azabicyclo[2.2.2]octan-3-yl acetate
Description:	Aceclidine is an agent that is used for treating glaucoma by reducing intraocular pressure. Aceclidine is a modulator of M3 muscarinic acetylcholine receptor.
Molecular Weight:	169.22
Molecular Formula:	C9H15NO2
Canonical 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
InChI Key:	WRJPSSPFHGNBMG-UHFFFAOYSA-N
Boiling Point:	298.52°C at 760 mmHg
Density:	1.0873 g/cm3
LogP:	0.58160

Publication Number	Title	Priority Date
WO-2021127564-A1	Preservative removal from eye drops	20191219
WO-2021123775-A2	Engineered platelets for targeted delivery of a therapeutic agent	20191217
WO-2021126874-A1	Ophthalmic compositions comprising d2o	20191216
EP-3827818-A1	Ophthalmic composition	20191126
US-2021156840-A1	Cryptic antibiotics and methods for detecting bioactive cryptic metabolites	20191121

PMID	Publication Date	Title	Journal
23113262	20120901	Role of nicotinic and muscarinic cholinoreceptors in the realization of the cholinergic anti-inflammatory pathway during the early phase of sepsis	Bulletin of experimental biology and medicine
20236391	20100601	Functional magnetic resonance imaging and c-Fos mapping in rats following a glucoprivic dose of 2-deoxy-D-glucose	Journal of neurochemistry
19951444	20091202	Differential regulation of muscarinic M1 receptors by orthosteric and allosteric ligands	BMC pharmacology
19781497	20091001	Effectiveness of daily use of brimonidine as antimydriatic agent	Journal of cataract and refractive surgery
20396698	20090901	Role of cholinergic and cytokine regulation of T cell function in stimulation and inhibition of immune reactions in intoxication by organophosphorus compounds in different doses	Bulletin of experimental biology and medicine

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Complexity:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.110278721
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	169.110278721
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7