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    Sonidegib

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    2D Structure
    Also known as: 1218778-77-8, Lde225 diphosphate, Sonidegib diphosphate, Erismodegib phosphate, Sonidegib (diphosphate), W421ai34uw
    Molecular Formula
    C26H32F3N3O11P2
    Molecular Weight
    681.5  g/mol
    InChI Key
    RWIVSVMMGFFZIJ-VWDRLOGHSA-N
    FDA UNII
    W421AI34UW
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;phosphoric acid
    2.1.2 InChI
    InChI=1S/C26H26F3N3O3.2H3O4P/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;;
    2.1.3 InChI Key
    RWIVSVMMGFFZIJ-VWDRLOGHSA-N
    2.1.4 Canonical SMILES
    CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O
    2.1.5 Isomeric SMILES
    C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O
    2.2 Other Identifiers
    2.2.1 UNII
    W421AI34UW
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 1218778-77-8

    2. Lde225 Diphosphate

    3. Sonidegib Diphosphate

    4. Erismodegib Phosphate

    5. Sonidegib (diphosphate)

    6. W421ai34uw

    7. 1218778-77-8 (phosphate)

    8. Nvp-lde225 Diphosphate

    9. Sonidegib Phosphate (usan)

    10. (1,1'-biphenyl)-3-carboxamide, N-(6-((2r,6s)-2,6-dimethyl-4-morpholinyl)-3-pyridinyl)-2-methyl-4'-(trifluoromethoxy)-, Rel-, Phosphate (1:2)

    11. N-(6-((2r,6s)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide Bis(phosphate)

    12. Sonidegib Phosphate [usan]

    13. Lde225 (diphosphate)

    14. Unii-w421ai34uw

    15. Sonidegib Phosphate [usan:inn]

    16. Odomzo (tn)

    17. Sonidegib Bisphosphate

    18. Erismodegib Diphosphate

    19. Nvp-lde 225 Diphosphate

    20. Nvp-lde225 Diphosphate Salt

    21. Chembl3137317

    22. Sonidegib Phosphate [mi]

    23. Chebi:90864

    24. Dtxsid90669468

    25. Bcp11860

    26. Ex-a1556

    27. Sonidegib Phosphate [who-dd]

    28. Akos015994565

    29. Cs-1175

    30. Fe-0016

    31. Sonidegib Diphosphate [ema Epar]

    32. Sonidegib Phosphate [orange Book]

    33. Hy-16582

    34. Nvp-lde 225 Diphosphatesonidegib Diphosphate

    35. D10729

    36. A907209

    37. Q27162838

    38. Erismodegib Diphosphate, Nvp-lde225 (diphosphate Salt)

    39. N-(6-((2r,6s)-2,6-dimethylmorpholin-4-yl)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-(1,1'-biphenyl)-3-carboxamide Diphosphate

    40. N-[6-[(2r,6s)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;phosphoric Acid

    41. N-{6-[(2r,6s)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl}-2-methyl-4'-(trifluoromethoxy)-3-biphenylcarboxamide Phosphate (1:2)

    42. Phosphoric Acid--n-{6-[(2r,6s)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide (2/1)

    43. Rel-n-(6-((2r,6s)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide Bis(phosphate)

    44. Rel-n-{6-[(2r,6s)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide Bis(phosphate)

    2.3.2 Other Synonyms

    1. Erismodegib

    2. Sonidegib

    3. Lde 225

    4. Sonidegib Phospate

    2.4 Create Date
    2010-04-26
    3 Chemical and Physical Properties
    Molecular Weight 681.5 g/mol
    Molecular Formula C26H32F3N3O11P2
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count5
    Exact Mass681.14641733 g/mol
    Monoisotopic Mass681.14641733 g/mol
    Topological Polar Surface Area219 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity741
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Drug and Medication Information
    4.1 Drug Indication

    Odomzo is indicated for the treatment of adult patients with locally advanced basal cell carcinoma (BCC) who are not amenable to curative surgery or radiation therapy.

    5 Pharmacology and Biochemistry
    5.1 ATC Code

    L01XJ02