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    CAS 510-77-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Narwedine, 510-77-0, (+/-)-narwedine, 1668-86-6, (-)-narwedine, Narwedine, (+/-)-
    Molecular Formula
    C17H19NO3
    Molecular Weight
    285.34  g/mol
    InChI Key
    QENVUHCAYXAROT-YOEHRIQHSA-N
    FDA UNII
    38CR9WB857
    narwedine is a natural product found in Hippeastrum papilio, Crinum asiaticum, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,12S)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one
    2.1.2 InChI
    InChI=1S/C17H19NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,14H,7-10H2,1-2H3/t14-,17-/m0/s1
    2.1.3 InChI Key
    QENVUHCAYXAROT-YOEHRIQHSA-N
    2.1.4 Canonical SMILES
    CN1CCC23C=CC(=O)CC2OC4=C(C=CC(=C34)C1)OC
    2.1.5 Isomeric SMILES
    CN1CC[C@@]23C=CC(=O)C[C@@H]2OC4=C(C=CC(=C34)C1)OC
    2.2 Other Identifiers
    2.2.1 UNII
    38CR9WB857
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Narwedine

    2. 510-77-0

    3. (+/-)-narwedine

    4. 1668-86-6

    5. (-)-narwedine

    6. Narwedine, (+/-)-

    7. Narwedin

    8. Galanthamine, 3-deoxy-3-oxo-

    9. (4as,8as)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6h-benzofuro[3a,3,2-ef][2]benzazepin-6-one

    10. Chebi:7487

    11. 38cr9wb857

    12. Atp706417h

    13. (1s,12s)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-one

    14. (4as,8as)-3-methoxy-11-methyl-9,10,11,12-tetrahydro-4ah-benzo[2,3]benzofuro[4,3-cd]azepin-6(5h)-one

    15. (4as,8as)-3-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6h-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-one

    16. Unii-38cr9wb857

    17. Unii-atp706417h

    18. (4as,8as)-3-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6h-(1)benzofuro(3a,3,2-ef)(2)benzazepin-6-one

    19. (4as,8as)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6h-benzofuro(3a,3,2-ef)(2)benzazepin-6-one

    20. 6h-benzofuro(3a,3,2-ef)(2)benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4as,8as)-

    21. 6h-benzofuro[3a,3,2-ef][2]benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4as,8as)-

    22. L(+)-narwedine

    23. Ec 428-690-2

    24. Surecn1719363

    25. Schembl1719363

    26. Chembl2146604

    27. Dtxsid60168190

    28. Galantamine Metabolite M14

    29. Hy-i0020

    30. Mfcd08063719

    31. Zinc15250922

    32. Akos025401594

    33. (4as,8as)-3-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6h-benzo[2,3]benzofuro[4,3-cd]azepin-6-one

    34. Ac-22592

    35. Ac-26365

    36. As-76969

    37. C08534

    38. 510g770

    39. A882294

    40. Galanthamine, 3-deoxy-3-oxo-, (+/-)-

    41. Q27107506

    42. Galantamine Hydrobromide Impurity A [ep Impurity]

    43. Galantamine Hydrobromide Impurity, Narwedine- [usp Impurity]

    44. (4ar*,8ar*)-4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-6h-benzofuro(3a,3,2-ef)(2)benzazepin-6-one

    45. 3-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6h-benzo[2,3]benzofuro[4,3-cd]azepin-6-one

    46. 5107-70-0

    47. 6h-benzofuro(3a,3,2-ef)(2)benzazepin-6-one, 4a,5,9,10,11,12-hexahydro-3-methoxy-11-methyl-, (4ar,8ar)-rel-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 285.34 g/mol
    Molecular Formula C17H19NO3
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass285.13649347 g/mol
    Monoisotopic Mass285.13649347 g/mol
    Topological Polar Surface Area38.8 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity477
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1