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    Oclacitinib

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 58,884Xls

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    2D Structure
    Also known as: 1208319-27-0, Oclacitinib (maleate), 1640292-55-2, Apoquel, Oclacitinib maleate [usan], Oclacitinib maleate(pf-03394197)
    Molecular Formula
    C19H27N5O6S
    Molecular Weight
    453.5  g/mol
    InChI Key
    VQIGDTLRBSNOBV-BTJKTKAUSA-N
    FDA UNII
    VON733L42A
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (Z)-but-2-enedioic acid;N-methyl-1-[4-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide
    2.1.2 InChI
    InChI=1S/C15H23N5O2S.C4H4O4/c1-16-23(21,22)9-11-3-5-12(6-4-11)20(2)15-13-7-8-17-14(13)18-10-19-15;5-3(6)1-2-4(7)8/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,17,18,19);1-2H,(H,5,6)(H,7,8)/b;2-1-
    2.1.3 InChI Key
    VQIGDTLRBSNOBV-BTJKTKAUSA-N
    2.1.4 Canonical SMILES
    CNS(=O)(=O)CC1CCC(CC1)N(C)C2=NC=NC3=C2C=CN3.C(=CC(=O)O)C(=O)O
    2.1.5 Isomeric SMILES
    CNS(=O)(=O)CC1CCC(CC1)N(C)C2=NC=NC3=C2C=CN3.C(=C\C(=O)O)\C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    VON733L42A
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Apoquel

    2. Oclacitinib

    2.3.2 Depositor-Supplied Synonyms

    1. 1208319-27-0

    2. Oclacitinib (maleate)

    3. 1640292-55-2

    4. Apoquel

    5. Oclacitinib Maleate [usan]

    6. Oclacitinib Maleate(pf-03394197)

    7. Pf-03394197-11

    8. Von733l42a

    9. Oclacitinib Maleate (usan)

    10. (z)-but-2-enedioic Acid;n-methyl-1-[4-[methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]methanesulfonamide

    11. N-methyl(trans-4-(methyl-7h-pyrrolo(2,3-d)pyrimidin-4-ylamino)cyclohexyl) Methanesulfonamide (2z)-2-butenedioate

    12. Unii-von733l42a

    13. Oclacitinib(maleate)

    14. Pf-03394197 Maleate

    15. Schembl260868

    16. Chembl2105739

    17. Oclacitinib Maleate [mi]

    18. Schembl19205843

    19. Amy19492

    20. Ex-a3658

    21. Hy-13577a

    22. S8195

    23. Ccg-269269

    24. Cs-7611

    25. Ac-32980

    26. Bs-44681

    27. D10142

    28. D84061

    29. Oclacitinib Maleate (ema Epar: Veterinary)

    30. Pf 03394197-11

    31. Q27291934

    32. Cyclohexanemethanesulfonamide, N-methyl-4-(methyl-7h-pyrrolo(2,3-d)pyrimidin-4- Ylamino)-, Trans-, (2z)-2-butenedioate (1:?)

    33. N-methyl-1-((1r,4r)-4-(methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonamide Maleate

    34. N-methyl-1-(trans-4-(methyl(7h-pyrrolo[2,3-d]pyrimidin-4-yl)amino)cyclohexyl)methanesulfonamide Maleate(1:x)

    2.4 Create Date
    2010-03-08
    3 Chemical and Physical Properties
    Molecular Weight 453.5 g/mol
    Molecular Formula C19H27N5O6S
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass453.16820477 g/mol
    Monoisotopic Mass453.16820477 g/mol
    Topological Polar Surface Area174 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity606
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    - Treatment of pruritus associated with allergic dermatitis in dogs.

    - Treatment of clinical manifestations of atopic dermatitis in dogs.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    QD11AH90