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    Alectinib

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    2D Structure
    Also known as: 1256589-74-8, Af-802 hydrochloride, Alectinib hcl, Alecensa, P9yy73lo6j, Alectinib hydrochloride (jan)
    Molecular Formula
    C30H35ClN4O2
    Molecular Weight
    519.1  g/mol
    InChI Key
    GYABBVHSRIHYJR-UHFFFAOYSA-N
    FDA UNII
    P9YY73LO6J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5H-benzo[b]carbazole-3-carbonitrile;hydrochloride
    2.1.2 InChI
    InChI=1S/C30H34N4O2.ClH/c1-4-20-16-23-24(17-26(20)34-9-7-21(8-10-34)33-11-13-36-14-12-33)30(2,3)29-27(28(23)35)22-6-5-19(18-31)15-25(22)32-29;/h5-6,15-17,21,32H,4,7-14H2,1-3H3;1H
    2.1.3 InChI Key
    GYABBVHSRIHYJR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=CC2=C(C=C1N3CCC(CC3)N4CCOCC4)C(C5=C(C2=O)C6=C(N5)C=C(C=C6)C#N)(C)C.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    P9YY73LO6J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Alecensa

    2. Alectinib

    3. Ch5424802

    4. Ro5424802

    2.3.2 Depositor-Supplied Synonyms

    1. 1256589-74-8

    2. Af-802 Hydrochloride

    3. Alectinib Hcl

    4. Alecensa

    5. P9yy73lo6j

    6. Alectinib Hydrochloride (jan)

    7. Alectinib (hydrochloride)

    8. Ch5424802 (hydrochloride)

    9. Schembl14991271

    10. 5h-benzo[b]carbazole-3-carbonitrile, 9-ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-, Hydrochloride (1:1)

    11. Alectinib Hydrochloride [jan]

    12. 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile Hydrochloride

    13. Unii-p9yy73lo6j

    14. Alecensa (tn)

    15. 5h-benzo(b)carbazole-3-carbonitrile, 9-ethyl-6,11-dihydro-6,6-dimethyl-8-(4-(4-morpholinyl)-1-piperidinyl)-11-oxo-, Hydrochloride (1:1)

    16. Alectinib Monohydrochloride

    17. Af-802 (hydrochloride)

    18. Agn-pc-09o9bf

    19. Ro5424802 (hydrochloride)

    20. Chembl3707320

    21. Chebi:62268

    22. Ch5424802 Hcl

    23. Dtxsid10154841

    24. Ch 5424802, Alectinib Hcl

    25. Bcp09075

    26. Ex-a1553

    27. Alectinib Hydrochloride [mi]

    28. Ch-5424802 Hydrochloride

    29. Hy-13011a

    30. Mfcd27987893

    31. S5232

    32. Ccg-264759

    33. Cs-3480

    34. Sb16516

    35. Alectinib Hydrochloride [who-dd]

    36. 9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5h-benzo[b]carbazole-3-carbonitrile,hydrochloride

    37. Ac-29721

    38. As-17062

    39. Alectinib Hydrochloride [orange Book]

    40. D10450

    41. Q27104897

    42. Ch5424802 Hcl Salt, Alectinib Hcl Salt, Af802 Hcl Salt

    43. Ch-5428402 Hcl; Af-802 Hydrochloride; Rg-7853 Hydrochloride; Ro-5424802 Hydrochloride

    44. 9-ethyl-6,11-dihydro-6,6-dimethyl-8-[4-(4-morpholinyl)-1-piperidinyl]-11-oxo-5h-benzo[b]carbazole-3-carbonitrile Hydrochloride (1:1)

    45. 9-ethyl-6,6-dimethyl-8-(4-morpholin-4-yl-piperidin-1-yl)-11-oxo-6,11-dihydro-5h-benzo[b]carbazole-3-carbonitrile Monohydrochloride Salt

    46. 9-ethyl-6,6-dimethyl-8-(4-morpholin-4-ylpiperidin-1-yl)-11-oxo-5h-benzo[b]carbazole-3-carbonitrile;hydrochloride

    47. Alectinib Hydrochloride;af-802 Hydrochloride;ch-5424802 Hydrochloride;rg-7853 Hydrochloride;ro-5424802 Hydrochloride

    2.3.3 Other Synonyms

    1. Alectinib

    2. 1256580-46-7

    3. Arq-761

    4. Cas 1416163-60-4

    5. Cas 1256580-46-7

    2.4 Create Date
    2011-07-05
    3 Chemical and Physical Properties
    Molecular Weight 519.1 g/mol
    Molecular Formula C30H35ClN4O2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass518.2448541 g/mol
    Monoisotopic Mass518.2448541 g/mol
    Topological Polar Surface Area72.4 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity867
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Alecensa as monotherapy is indicated for the first-line treatment of adult patients with anaplastic lymphoma kinase (ALK)-positive advanced non-small cell lung cancer (NSCLC).

    Alecensa as monotherapy is indicated for the treatment of adult patients with ALKpositive advanced NSCLC previously treated with crizotinib.

    5 Pharmacology and Biochemistry
    5.1 FDA Pharmacological Classification
    5.1.1 Pharmacological Classes
    Kinase Inhibitors [MoA]; Kinase Inhibitor [EPC]
    5.2 ATC Code

    L01ED03