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Xanomeline tartrate

CAT: 0013-GTR19244021-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244021-01Size:500 mg
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Description
Xanomeline (LY 246708) is the potent agonist of muscarinic M1/M4 receptor with antipsychotic-like activity. Xanomeline (LY 246708) increases neuronal excitability.Xanomeline (LY 246708) can be used for the research of schizophrenia.
CAS Number
152854-19-8
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 250 mg/mL (579.37 mM; Ultrasonic)
Smiles
O[C@@H] ([C@H] (O) C (O) =O) C (O) =O.CCCCCCOc1nsnc1C1=CCCN (C) C1
Molecular Formula
C18H29N3O7S
Molecular Weight
431.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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