(3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octane

• ChemBase ID: 154070
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: C#CCO[C@@H]1[C@H]2CCN(C1)CC2
• Canonical SMILES: C#CCO[C@H]1CN2CC[C@H]1CC2
• InChI: InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1
• InChIKey: XVFJONKUSLSKSW-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octane
• IUPAC Traditional name: talsaclidine
• Synonyms: (R)-3-(2-propynyloxy)-1-Azabicyclo[2.2.2]octane; WAL 2014; Talsaclidine

Database IDs

• CAS Number: 147025-53-4
• PubChem SID: 162248209
• PubChem CID: 71792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3355896
• LogD (pH = 7.4): -0.64793724
• Log P: 0.7282815
• Molar Refractivity: 48.563 cm^3
• Polarizability: 18.811037 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO: >5 mg/mL
• Apperance: oil

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41
• Safety Statements: 26-39
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Purity: ≥98% (HPLC)
• Empirical Formula (Hill Notation): C10H15NO

DETAILS

Sigma Aldrich - T2452

Packaging
Packaged under argon
Biochem/physiol Actions
Talsaclidine is a M1 selective muscarinic receptor agonist. Concentration-dependently, talsaclidine increases the release of APPs and dose-dependently. Talsaclidine decreases Aβ formation and decreases cerebrospinal fluid Aβ in AD patients.