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    Technical details about Tebanicline, learn more about the structure, uses, toxicity, action, side effects and more

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    Tebanicline

    INTERMEDIATES

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    2D Structure
    1. Also known as: Abt-594, 198283-73-7, Tebanicline [inn], Ebanicline, 5-[[(2r)-azetidin-2-yl]methoxy]-2-chloropyridine, 9kx8nkv538
    Molecular Formula
    C9H11ClN2O
    Molecular Weight
    198.65  g/mol
    InChI Key
    MKTAGSRKQIGEBH-SSDOTTSWSA-N
    FDA UNII
    9KX8NKV538
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
    2.1.2 InChI
    InChI=1S/C9H11ClN2O/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7/h1-2,5,7,11H,3-4,6H2/t7-/m1/s1
    2.1.3 InChI Key
    MKTAGSRKQIGEBH-SSDOTTSWSA-N
    2.1.4 Canonical SMILES
    C1CNC1COC2=CN=C(C=C2)Cl
    2.1.5 Isomeric SMILES
    C1CN[C@H]1COC2=CN=C(C=C2)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9KX8NKV538
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(2-azetidinylmethoxy)-2-chloropyridine

    2. Abt 594

    3. Abt-594

    2.3.2 Depositor-Supplied Synonyms

    1. Abt-594

    2. 198283-73-7

    3. Tebanicline [inn]

    4. Ebanicline

    5. 5-[[(2r)-azetidin-2-yl]methoxy]-2-chloropyridine

    6. 9kx8nkv538

    7. Abt594

    8. Chembl430497

    9. Unii-9kx8nkv538

    10. (r)-5-(2-azetidnylmethoxy)-2-chloropyridine

    11. 5-((2r)-azetidinylmethoxy)-2-chloropyridine

    12. Pyridine, 5-(2-azetidnylmethoxy)-2-chloro-, (r)-

    13. Tebeniciline

    14. Tebanicline [mi]

    15. Tebanicline(abt-594)

    16. (r)-5-(azetidin-2-ylmethoxy)-2-chloropyridine

    17. Schembl120178

    18. Gtpl3989

    19. Dtxsid90173555

    20. Bcp19181

    21. Ex-a2483

    22. Zinc3959783

    23. Bdbm50062641

    24. Akos006280361

    25. (r)-2-chloro-5-(2-azetidinylmethoxy)pyridine

    26. 5-((r)-1-azetidin-2-ylmethoxy)-2-chloro-pyridine

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 198.65 g/mol
    Molecular Formula C9H11ClN2O
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass198.0559907 g/mol
    Monoisotopic Mass198.0559907 g/mol
    Topological Polar Surface Area34.2 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity168
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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