Aceclidine Hydrochloride - 10mM in DMSO , CAS No.6109-70-2

CAS: 6109-70-2 Cat. No.: A580291 Molecular Weight: 205.68 EC Number: 228-071-5

GRADE & PURITY 10mM in DMSO

Synonyms

Aceclidine hydrochloride|6109-70-2|Aceclidine (hydrochloride)|Quinuclidin-3-yl acetate hydrochloride|Aceclidine HCl|3-Acetoxyquinuclidine hydrochloride|Aceclidine hydochloride|1-Azabicyclo[2.2.2]oct-3-yl acetate hydrochloride|1-azabicyclo[2.2.2]octan-3-yl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Application:

Aceclidine hydrochloride may be used in muscarinic acetylcholine receptor-mediated cell signaling studies.

Specifications

Synonyms

Aceclidine hydrochloride | 6109-70-2 | Aceclidine (hydrochloride) | Quinuclidin-3-yl acetate hydrochloride | Aceclidine HCl | 3-Acetoxyquinuclidine hydrochloride | Aceclidine hydochloride | 1-Azabicyclo[2.2.2]oct-3-yl acetate hydrochloride | 1-azabicyclo[2.2.2]octan-3-yl

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Aceclidine at a concentration of 5 and 50 μg is capable of enhancing the outflow facility, following ciliary muscle disinsertion. Aceclidine hydrochloride is a parasympathomimetic drug with weak anticholinesterase activity. It acts on cholinergic nerve-en

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(=O)OC1CN2CCC1CC2.Cl
• IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl acetate;hydrochloride
• InChIKey: LWWSARSTZGNKGV-UHFFFAOYSA-N
• INCHI: 1S/C9H15NO2.ClH/c1-7(11)12-9-6-10-4-2-8(9)3-5-10;/h8-9H,2-6H2,1H3;1H
• Isomeric SMILES: CC(=O)OC1CN2CCC1CC2.Cl
• RTECS: VD6198000
• Molecular Weight: 205.68
• Reaxy-Rn: 10703603
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10703603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinuclidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinuclidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinuclidines
• Alternative Parents: Piperidines Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Quinuclidine - Piperidine - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 205.680 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.087 Da
• Monoisotopic Mass: 205.087 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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