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Xanomeline

CAT: 0013-GTR19244084-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19244084-02Size:1 g
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Description
Xanomeline, as an effective and selective muscarinic type 1 and type 4 (M1/M4) receptor agonist, increases neuronal excitability. Xanomeline can be used for the research of neurological disorders, such as schizophrenia.
CAS Number
131986-45-3
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 33.33 mg/mL (118.44 mM; Ultrasonic)
Smiles
CCCCCCOc1nsnc1C1=CCCN (C) C1
Molecular Formula
C14H23N3OS
Molecular Weight
281.42
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Xanomeline

Xanomeline is a tetrahydropyridine and a member of thiadiazoles. It has a role as a serotonergic agonist and a muscarinic agonist.

CAS Number131986-45-3
PubChem CID60809
IUPAC Name3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
Molecular FormulaC14H23N3OS
Molecular Weight281.42
XLogP3.3
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity298
SMILES
CCCCCCOC1=NSN=C1C2=CCCN(C2)C
InChI
InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
InChIKey
JOLJIIDDOBNFHW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xanomeline
CAS: 131986-45-3
CID: 60809
Formula: C14H23N3OS
MW: 281.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.42
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass281.15618354
Monoisotopic Mass281.15618354
Topological Polar Surface Area66.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5484-25Xanomeline
HY-105182A-01Xanomeline (tartrate)
CS-O-63563Xanomeline-d11
CS-EK-00836Xanomeline metabolite A
abx283210-01Xanomeline tartrate
CS-O-59448Xanomeline-d16

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