Products for Research Use Only

Xanomeline tartrate

CAT: 0013-GTR19189598-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189598-01Size:10 mg
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Description
Xanomeline tartrate (LY 246708 tartrate) is a selective M1/M4 muscarinic acetylcholine receptor agonist. It exhibits antipsychotic and pro-cognitive effects in preclinical models, supporting its research application in neuropsychiatric disorders such as schizophrenia and Alzheimer's disease.
CAS Number
152854-19-8
Product Name Alternative
LY246708 tartrate
Field of Research
Neuroscience
Purity
>98%
Bioactivity
Selective M1 Muscarinic agonist
Form
Powder
Solubility
Soluble in DMSO (45 mg/ml) ; or Water (70 mg/ml)
Smiles
O[C@@H] ([C@H] (O) C (O) =O) C (O) =O.CCCCCCOc1nsnc1C1=CCCN (C) C1
Molecular Formula
C14H23N3OS • C4H6O6
Molecular Weight
431.5
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
3-[4- (Hexyloxy) -1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methylpyridine, tartrate

Chemical Information

Xanomeline Tartrate

See also: Xanomeline (has active moiety).

CAS Number152854-19-8
PubChem CID71456
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
Molecular FormulaC18H29N3O7S
Molecular Weight431.5
Topological Polar Surface Area182
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity432
SMILES
CCCCCCOC1=NSN=C1C2=CCCN(C2)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C14H23N3OS.C4H6O6/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;5-1(3(7)8)2(6)4(9)10/h8H,3-7,9-11H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey
SJSVWTMVMBGIHQ-LREBCSMRSA-N
Chemical Structure
2D Structure
2D structure of Xanomeline Tartrate
CAS: 152854-19-8
CID: 71456
Formula: C18H29N3O7S
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight431.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass431.17262145
Monoisotopic Mass431.17262145
Topological Polar Surface Area182 Ų
Heavy Atom Count29
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes