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    CAS 31251-41-9 manufacturers and suppliers on PharmaCompass

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    4CH-023809

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    4CH-023809
    Also known as: 31251-41-9, 8-chloro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6h)-one, 8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one, Loratadine related compound c, Loratadine ep impurity b, 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cycloheptan-5-one
    Molecular Formula
    C14H10ClNO
    Molecular Weight
    243.69  g/mol
    InChI Key
    WMQNOYVVLMIZDV-UHFFFAOYSA-N
    FDA UNII
    Y8MA5G8500
    1 2D Structure

    4CH-023809

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
    2.1.2 InChI
    InChI=1S/C14H10ClNO/c15-11-5-6-12-10(8-11)4-3-9-2-1-7-16-13(9)14(12)17/h1-2,5-8H,3-4H2
    2.1.3 InChI Key
    WMQNOYVVLMIZDV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=C(C=CC(=C2)Cl)C(=O)C3=C1C=CC=N3
    2.2 Other Identifiers
    2.2.1 UNII
    Y8MA5G8500
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 31251-41-9

    2. 8-chloro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11(6h)-one

    3. 8-chloro-5,6-dihydro-11h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one

    4. Loratadine Related Compound C

    5. Loratadine Ep Impurity B

    6. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cycloheptan-5-one

    7. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo[a,d]cycloheptan-5-one

    8. 11h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one, 8-chloro-5,6-dihydro-

    9. 13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

    10. 8-chloro-10,11-dihydro-4-aza-5h-benzo[a,d] Cycloheptan-5-one

    11. Y8ma5g8500

    12. Mfcd00800222

    13. 8-chloro-5,6-dihydro-11h-benzo[5.6]cyclohepta[1,2-b]pyridin-11-one

    14. Unii-y8ma5g8500

    15. 8-chloro-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-one

    16. Loratadine Specified Impurity B [ep]

    17. Loratadine Related Compound C Rs [usp]

    18. Ec 700-257-5

    19. Schembl3839936

    20. Dtxsid40185183

    21. Bcp31805

    22. Zinc2569976

    23. Akos005067771

    24. Ac-26332

    25. As-12268

    26. Loratadine Impurity, 8-chloro-6,11-dihydro-5h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one- [usp]

    27. Sy053120

    28. Loratadine Impurity B [ep Impurity]

    29. Cs-0022883

    30. Ft-0638960

    31. Loratadine Ep Impurity B ( Usp Rc C)

    32. A18619

    33. Loratadine Related Compound C [usp-rs]

    34. 251c419

    35. Loratadine Related Compound C [usp Impurity]

    36. Q27294379

    37. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo-(a,d)cycloheptan-5one

    38. 8-chloro-10,11-dihydro-4-aza-5h-dibenzo[a,d]cyclohepten-5-one

    39. 8-chloro-10,11-dihydro-4 Aza-5h-benzo[a,d] Cycloheptan-5-one

    40. 8-chloro-5,6-dihydro-11 H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

    41. 8-chloro-5,6-dihydro-11h-benzo [5,6]cyclohepta [1,2-b]pyrid-11-one

    42. 8-chloro-5,6-dihydro-11h-benzo[5,6]cyclo Hepta[1,2-b]pyridin-11-one

    43. 8-chloro-5,6-dihydro-11h-benzo[5,6]cyclohepta[1,2-b]pyrid-11-one

    44. Loratadine Impurity, 8-chloro-6,11-dihydro-5h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-one- [usp Impurity]

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 243.69 g/mol
    Molecular Formula C14H10ClNO
    XLogP33.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass243.0450916 g/mol
    Monoisotopic Mass243.0450916 g/mol
    Topological Polar Surface Area30 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity307
    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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