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    CAS 38089-93-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 38089-93-9, 8-chloro-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol, 11-hydroxy-n-methyl dihydro loratadine, Loratadine impurity d, Desloratadine 11-hydroxy-n-methyl
    Molecular Formula
    C20H23ClN2O
    Molecular Weight
    342.9  g/mol
    InChI Key
    HSLLZISLOQPUNP-UHFFFAOYSA-N
    FDA UNII
    7FN2MM460T
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol
    2.1.2 InChI
    InChI=1S/C20H23ClN2O/c1-23-11-8-16(9-12-23)20(24)18-7-6-17(21)13-15(18)5-4-14-3-2-10-22-19(14)20/h2-3,6-7,10,13,16,24H,4-5,8-9,11-12H2,1H3
    2.1.3 InChI Key
    HSLLZISLOQPUNP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1CCC(CC1)C2(C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)O
    2.2 Other Identifiers
    2.2.1 UNII
    7FN2MM460T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 38089-93-9

    2. 8-chloro-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

    3. 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-5h-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ol

    4. 11-hydroxy-n-methyl Dihydro Loratadine

    5. Loratadine Impurity D

    6. Desloratadine 11-hydroxy-n-methyl

    7. (+/-)-11-hydroxy-n-methyldesloratadine

    8. 7fn2mm460t

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

    10. 5h-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ol, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinyl)-

    11. 8-chloro-11-(1-methylpiperidin-4-yl)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridin-11-ol

    12. (11rs)-8-chloro-11-hydroxy-11-(1-methylpiperidin-4-yl)-6,11-dihydro-5h-benzo[5,6]cyclohepta[1,2-b]pyridine

    13. Unii-7fn2mm460t

    14. Ec 609-518-7

    15. Loratadine Impurity 10

    16. Schembl4457894

    17. Dtxsid301119015

    18. Usp Loratadine Related Compound D

    19. Bcp31811

    20. Akos015964678

    21. Ac-26334

    22. Loratadine Impurity, 8-chloro-6,11-dihydro-11-(n-methyl-4-piperidinyl)11-hydroxy-5h-benzo(5,6)cyclohepta(1,2-b)pyridine- [usp]

    23. Db-027524

    24. Cs-0451904

    25. Ft-0657832

    26. Hydroxy Deacyl Analog [usp Impurity]

    27. 089c939

    28. Q27268201

    29. 11-hydroxy N-methyl Dihydrodesloratadine; 8-chloro-6,11-dihydro-11-[n-methyl-4 Piperidinyl]-11-hydroxy-5h-benzo[5,6] Cyclohepta[1,2-b]pyridine

    30. 13-chloro-2-(1-methylpiperidin-4-yl)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ol

    31. 8-chloro-11-(1-methyl-piperidin-4-yl)-6,11-dihydro-5hbenzo(5,6)cyclohepta(1,2-b)pyridin-11-ol

    32. Loratadine Impurity, 8-chloro-6,11-dihydro-11-(n-methyl-4-piperidinyl)11-hydroxy-5h-benzo(5,6)cyclohepta(1,2-b)pyridine-[usp Impurity]

    2.4 Create Date
    2006-12-11
    3 Chemical and Physical Properties
    Molecular Weight 342.9 g/mol
    Molecular Formula C20H23ClN2O
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass342.1498911 g/mol
    Monoisotopic Mass342.1498911 g/mol
    Topological Polar Surface Area36.4 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity439
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1