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    Basimglurant

    DEVELOPMENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 802906-73-6, Ctep derivative, Rg7090, 2-chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine, Rg-7090, Ro4917523
    Molecular Formula
    C18H13ClFN3
    Molecular Weight
    325.8  g/mol
    InChI Key
    UPZWINBEAHDTLA-UHFFFAOYSA-N
    FDA UNII
    3110E3AO8S
    Basimglurant has been used in trials studying the diagnostic and treatment of Depression, Fragile X Syndrome, and Major Depressive Disorder.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine
    2.1.2 InChI
    InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
    2.1.3 InChI Key
    UPZWINBEAHDTLA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(N=C(N1C2=CC=C(C=C2)F)C)C#CC3=CC(=NC=C3)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3110E3AO8S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-chloro-4-(1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-ylethynyl)pyridine

    2. Ro4917523

    2.3.2 Depositor-Supplied Synonyms

    1. 802906-73-6

    2. Ctep Derivative

    3. Rg7090

    4. 2-chloro-4-((1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine

    5. Rg-7090

    6. Ro4917523

    7. Ro-4917523

    8. 2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine

    9. Noe-101

    10. 3110e3ao8s

    11. 1034442-21-1 (free Base)

    12. 2-chloro-4-(2-(1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)pyridine

    13. Pyridine, 2-chloro-4-(2-(1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl)ethynyl)-

    14. 1034442-21-1

    15. Basimglurant [usan:inn]

    16. Unii-3110e3ao8s

    17. 2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethyl-1h-imidazol-4-yl]ethynyl]pyridine

    18. Basimglurant [inn]

    19. Rg7090basimglurant

    20. Rg 7090

    21. Ro 4917523

    22. Basimglurant (usan/inn)

    23. Basimglurant [usan]

    24. Basimglurant [who-dd]

    25. Schembl560590

    26. Gtpl9309

    27. Chembl3301626

    28. Dtxsid801025734

    29. Hms3741c15

    30. Bcp15864

    31. Zinc6716839

    32. Bdbm50071374

    33. Mfcd25976719

    34. Rg7090rg7090

    35. Compound 2 [pmid: 25565255]

    36. Cs-3388

    37. Db11833

    38. Ncgc00390716-02

    39. Ac-35776

    40. As-51978

    41. Hy-15446

    42. Ds-015787

    43. D10864

    44. P14045

    45. A916083

    46. Q18209947

    47. 1-(4-fluorophenyl)-4-[(2-chloro-4-pyridyl)ethynyl]-2,5-dimethyl-1h-imidazole

    48. 2-chloro-4-[1-(4-fluoro-phenyl)-2,5-dimethyl-1h-imidazol-4-ylethynyl]-pyridine

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 325.8 g/mol
    Molecular Formula C18H13ClFN3
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass325.0782033 g/mol
    Monoisotopic Mass325.0782033 g/mol
    Topological Polar Surface Area30.7 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity465
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1