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    Xanomeline

    ACTIVE PHARMA INGREDIENTS

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    2D Structure
    Also known as: 131986-45-3, 3-(hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole, Ly 246708, Ly-246708, Ly246708, 3-hexoxy-4-(1-methyl-3,6-dihydro-2h-pyridin-5-yl)-1,2,5-thiadiazole
    Molecular Formula
    C14H23N3OS
    Molecular Weight
    281.42  g/mol
    InChI Key
    JOLJIIDDOBNFHW-UHFFFAOYSA-N
    FDA UNII
    9ORI6L73CJ
    Xanomeline is under investigation in clinical trial NCT02831231 (Pilot Study Comparing Effects of Xanomeline Alone to Xanomeline Plus Trospium).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
    2.1.2 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
    2.1.3 InChI Key
    JOLJIIDDOBNFHW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCOC1=NSN=C1C2=CCCN(C2)C
    2.2 Other Identifiers
    2.2.1 UNII
    9ORI6L73CJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (3-o-hexyloxy)-tztp

    2. 3-(3-o-hexyl-1,2,5-thiadiazol-4-yl)-1,2,5,6-tetrahydro-1-methylpyridine

    3. Ly 246708

    4. Ly-246708

    5. Ly246708

    6. Xanomeline Tartrate

    2.3.2 Depositor-Supplied Synonyms

    1. 131986-45-3

    2. 3-(hexyloxy)-4-(1-methyl-1,2,5,6-tetrahydropyridin-3-yl)-1,2,5-thiadiazole

    3. Ly 246708

    4. Ly-246708

    5. Ly246708

    6. 3-hexoxy-4-(1-methyl-3,6-dihydro-2h-pyridin-5-yl)-1,2,5-thiadiazole

    7. 9ori6l73cj

    8. Chembl21536

    9. 5-(4-hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine

    10. Chebi:10056

    11. Ly-246708 Free Base

    12. 5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine

    13. Xanomeline (usan)

    14. Xanomeline [usan]

    15. Pyridine, 3-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methyl-

    16. Xanomeline [usan:inn]

    17. Unii-9ori6l73cj

    18. Lumeron

    19. Memcor

    20. Hexyloxy-tztp

    21. Pyridine, 3-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1,2,5,6-tetrahydro-1-methyl-

    22. Xanomeline [mi]

    23. Xanomeline [inn]

    24. Gtpl57

    25. 3-(4-(hexyloxy)-1,2,5-thiadiazol-3-yl)-1,2,5,6-tetrahydro-1-methylpyridine

    26. Xanomeline [mart.]

    27. Xanomeline [who-dd]

    28. Schembl121046

    29. Dtxsid60157286

    30. Bcp31492

    31. Ex-a6592

    32. Zinc1532358

    33. Bdbm50003359

    34. Mfcd00867179

    35. Akos016007489

    36. Db15357

    37. Sb18821

    38. Nnc-11-0232

    39. Ds-15663

    40. Hy-105182

    41. Cs-0025224

    42. Ft-0602214

    43. C72296

    44. D06330

    45. A888347

    46. L000694

    47. Q8042940

    48. Ly-246708; Ly246708; Ly 246708

    49. 3-(4-hexoxy-1,2,5-thiadiazol-3-yl)-1-methyl-5,6-dihydro-2h-pyridine

    50. 3-(4-hexyloxy-1 ,2,5-thiadiazol-3-yl)-1 ,2,5,6-tetrahydro-1-methyl-pyridine

    51. 5-(4-hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine; Oxalic Acid

    52. 5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine, Aldrichcpr

    53. 1018845-70-9

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 281.42 g/mol
    Molecular Formula C14H23N3OS
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass281.15618354 g/mol
    Monoisotopic Mass281.15618354 g/mol
    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
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Muscarinic Agonists

    Drugs that bind to and activate muscarinic cholinergic receptors (RECEPTORS, MUSCARINIC). Muscarinic agonists are most commonly used when it is desirable to increase smooth muscle tone, especially in the GI tract, urinary bladder and the eye. They may also be used to reduce heart rate. (See all compounds classified as Muscarinic Agonists.)

    Parasympathomimetics

    Drugs that mimic the effects of parasympathetic nervous system activity. Included here are drugs that directly stimulate muscarinic receptors and drugs that potentiate cholinergic activity, usually by slowing the breakdown of acetylcholine (CHOLINESTERASE INHIBITORS). Drugs that stimulate both sympathetic and parasympathetic postganglionic neurons (GANGLIONIC STIMULANTS) are not included here. (See all compounds classified as Parasympathomimetics.)

    Psychotropic Drugs

    A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents). (See all compounds classified as Psychotropic Drugs.)