Talsaclidine
Basic information
- CAS
147025-53-4- Standard SMILES
C#CCO[C@H]1CN2CCC1CC2- InChIKey
XVFJONKUSLSKSW-JTQLQIEISA-N- Molecular formula
- C10H15NO
- Average molar mass
- 165.23 g/mol
- Monoisotopic mass
- 165.1153641
Overview
Talsaclidine has been used in trials studying the treatment of Alzheimer Disease.
Names & identifiers
- Preferred name
- Talsaclidine
- IUPAC
- (3R)-3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane
- English name
- Talsaclidine
- Molecular formula
- C10H15NO
- Molecular weight
- 165.23
Names & synonyms
Talsaclidine147025-53-4Talsaclidine [INN]talsaclidinaUNII-1O8VSL798T(3R)-3-(2-Propynyloxy)quinuclidine1O8VSL798TTALSACLIDINE [WHO-DD](3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo[2.2.2]octaneDTXSID201635653-(2-PROPYNYLOXY)-1-AZABICYCLO(2.2.2)OCTANE, (R)-talsaclidinum
Show more names
WAL 2014(R)-3-(2-Propynyloxy)-1-azabicyclo[2.2.2]octane(R)-3-(2-Propynyloxy)-1-Azabicyclo[2.2.2]octane, WAL 2014
(3R)-3-(prop-2-yn-1-yloxy)-1-azabicyclo(2.2.2)octaneRefChem:187327DTXCID0086056(3R)-3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane1-Azabicyclo[2.2.2]octane, 3-(2-propyn-1-yloxy)-, (3R)-SCHEMBL195367orb1708423CHEMBL2111051
Database identifiers
- CAS
147025-53-4- PubChem CID
- 71792
- DTXSID
DTXSID20163565- ChEMBL
CHEMBL2111051- UNII
- 1O8VSL798T
- EC Number
- 633-921-7
- Nikkaji
- J534.348H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 251.1 · 251.1±20.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- 5 mg/mL · DMSO: >5mg/mL
- form
- oil
- pka
- 9.45 · 9.45±0.33(Predicted)
- color
- Light yellow to yellow
- FDA UNII
- 1 O8VSL798T · 1O8VSL798T
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- 3
- rtecs
- CL5636700
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 26-39
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesTalsaclidine, a novel M1-receptor selective muscarinic agonist for cholinergic substitution therapy of Alzheimer''s disease. Treatment with the selective muscarinic m1 agonist talsaclidine decreases cerebrospinal fluid levels of A beta 42 in patients with Alzheimer''s disease.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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