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    Technical details about CAS 145546-80-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 145546-80-1

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    2D Structure
    1. Also known as: 120014-07-5, 145546-80-1, 1-benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)piperidine, (e)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one, Donepezil related compound a, (2e)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3h-inden-1-one
    Molecular Formula
    C24H27NO3
    Molecular Weight
    377.5  g/mol
    InChI Key
    LPMOTUSFDTTWJL-UDWIEESQSA-N
    FDA UNII
    1D3K90DIY3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2E)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3H-inden-1-one
    2.1.2 InChI
    InChI=1S/C24H27NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,12,14-15,17H,8-11,13,16H2,1-2H3/b20-12+
    2.1.3 InChI Key
    LPMOTUSFDTTWJL-UDWIEESQSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(=C1)CC(=CC3CCN(CC3)CC4=CC=CC=C4)C2=O)OC
    2.1.5 Isomeric SMILES
    COC1=C(C=C2C(=C1)C/C(=C\C3CCN(CC3)CC4=CC=CC=C4)/C2=O)OC
    2.2 Other Identifiers
    2.2.1 UNII
    1D3K90DIY3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 120014-07-5

    2. 145546-80-1

    3. 1-benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)piperidine

    4. (e)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one

    5. Donepezil Related Compound A

    6. (2e)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-3h-inden-1-one

    7. 1d3k90diy3

    8. Chembl168938

    9. (2e)-2-[(1-benzylpiperidin-4-yl)methylidene]-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one

    10. (2e)-dehydrodonepezil

    11. (e)-2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one

    12. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-, (2e)-

    13. 2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxyindan-1-one, (e)-

    14. 2-[1-(1-benzyl-piperidin-4-yl)-meth-(e)-ylidene]-5,6-dimethoxy-indan-1-one

    15. (2~{e})-5,6-dimethoxy-2-[[1-(phenylmethyl)piperidin-4-yl]methylidene]-3~{h}-inden-1-one

    16. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methylene)-, (2e)-

    17. (e)-2-[(1-benzylpiperidin-4-yl)methylene]-5,6-dimethoxyindan-1-one

    18. Donepezil Impurity 14

    19. Unii-1d3k90diy3

    20. 1-benzyl-4-((5,6-dimethoxy-1-oxoindan-2-ylidene)methyl)piperidine

    21. 2-[(1-benzylpiperidin-4-yl)methylene]-2,3-dihydro-5,6-dimethoxyinden-1-one

    22. Zinc597028

    23. Bcp28366

    24. Vfa54680

    25. Bdbm50280646

    26. Mfcd08693144

    27. Donepezil Related Compound A- [usp]

    28. Akos000277341

    29. Cs-w006058

    30. Dehydro Donepezil (donepezil Impurity)

    31. Ds-0813

    32. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-

    33. Ac-26327

    34. Cs-0166756

    35. Donepezil Related Compound A [usp-rs]

    36. 014b075

    37. Donepezil Related Compound A [usp Impurity]

    38. Q27252264

    39. Donepezil Hydrochloride Impurity F [ep Impurity]

    40. 2-[(1-benzyl-4-piperidyl)methylene]-5,6-dimethoxy-1-indanone

    41. (e)-2-(1-benzyl-4-piperidylmethylene)-5,6-dimethoxy-1-indanone

    42. 1-benzyl-4-(5,6-dimethoxy-1-oxoindan-2-ylindenemethyl)-piperidine

    43. 2-[(1-benzylpiperidine-4-yl)methylene]-5,6-dimethoxyindan-1-one

    44. 1h-inden-1-one,2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methylene]-

    45. 2-((1-benzylpiperidin-4-yl)methylene)-5,6-dimethoxy-2,3-dihydroinden-1-one

    46. (e)-2-[(1-benzylpiperidin-4-yl)methylene]-5,6-dimethoxyindan-1-one(donepezil Related Compound A)

    47. Dz7

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 377.5 g/mol
    Molecular Formula C24H27NO3
    XLogP34.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass377.19909372 g/mol
    Monoisotopic Mass377.19909372 g/mol
    Topological Polar Surface Area38.8 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity560
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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