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    Also known as: 38092-89-6, 8-chloroazatadine, N-methyl desloratadine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine, Loratadine related compound b, Loratadine ep impurity g
    Molecular Formula
    C20H21ClN2
    Molecular Weight
    324.8  g/mol
    InChI Key
    VLXSCTINYKDTKR-UHFFFAOYSA-N
    FDA UNII
    70V8053T5G
    CAS 38092-89-6
    1 2D Structure

    CAS 38092-89-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
    2.1.2 InChI
    InChI=1S/C20H21ClN2/c1-23-11-8-14(9-12-23)19-18-7-6-17(21)13-16(18)5-4-15-3-2-10-22-20(15)19/h2-3,6-7,10,13H,4-5,8-9,11-12H2,1H3
    2.1.3 InChI Key
    VLXSCTINYKDTKR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1
    2.2 Other Identifiers
    2.2.1 UNII
    70V8053T5G
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 38092-89-6

    2. 8-chloroazatadine

    3. N-methyl Desloratadine

    4. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

    5. Loratadine Related Compound B

    6. Loratadine Ep Impurity G

    7. 8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

    8. 8-chloro Azatadine

    9. Chembl420316

    10. Mfcd06411084

    11. 70v8053t5g

    12. 8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5h-benzo(5,6)cyclohepta(1,2-b)pyridine

    13. 13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

    14. 5h-benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-

    15. 8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine

    16. Loratadine Impurity G [ep]

    17. Unii-70v8053t5g

    18. Loratadine Related Compound B [usp]

    19. Loratadine Related Compound B Rs [usp]

    20. 8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepto[1,2-b]pyridine-11-one

    21. Schembl4460572

    22. Dtxsid40191502

    23. Act04866

    24. Bcp31809

    25. Zinc2015181

    26. Bdbm50031228

    27. Stl481882

    28. Akos005216035

    29. Ds-7427

    30. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

    31. Ac-26333

    32. Sy110869

    33. Db-002621

    34. Loratadine Impurity G [ep Impurity]

    35. Cs-0151108

    36. Ft-0671893

    37. Loratadine Ep Impurity G (usp Rc B)

    38. Loratadine Related Compound B [usp-rs]

    39. 092c896

    40. A856099

    41. Loratadine Related Compound B [usp Impurity]

    42. Q27265894

    43. N-methyl Desloratadine;8-chloroazatadine;n-methyldesloratadine

    44. 11-(1-methylpiperidine-4-ylidene)-8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepta[1,2-b]pyridine

    45. 13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

    46. 8-chloro-6,11-dihydro- 11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

    47. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo-[5,6]-cyclohepta-[1,2-b]-pyridine

    48. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5h-benzo[5,6]cyclohepta[1,2-b] Pyridine

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 324.8 g/mol
    Molecular Formula C20H21ClN2
    XLogP34.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass324.1393264 g/mol
    Monoisotopic Mass324.1393264 g/mol
    Topological Polar Surface Area16.1 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity451
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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