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    CAS 120011-70-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 120011-70-3, Donepezil hcl, Aricept, Bnag, 110119-84-1, 2-((1-benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one hydrochloride
    Molecular Formula
    C24H30ClNO3
    Molecular Weight
    416.0  g/mol
    InChI Key
    XWAIAVWHZJNZQQ-UHFFFAOYSA-N
    FDA UNII
    3O2T2PJ89D
    An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
    2.1.2 InChI
    InChI=1S/C24H29NO3.ClH/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;/h3-7,14-15,17,20H,8-13,16H2,1-2H3;1H
    2.1.3 InChI Key
    XWAIAVWHZJNZQQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3O2T2PJ89D
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-benzyl-4-((5,6-dimethoxy-1-indanon)-2-yl)methylpiperidine Hydrochloride

    2. Aricept

    3. Donepezil

    4. Donepezilium Oxalate Trihydrate

    5. E 2020

    6. E-2020

    7. E2020

    8. Eranz

    2.3.2 Depositor-Supplied Synonyms

    1. 120011-70-3

    2. Donepezil Hcl

    3. Aricept

    4. Bnag

    5. 110119-84-1

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

    7. E2020

    8. Donepezilhcl

    9. E-2020

    10. Aricept Odt

    11. E 2020

    12. Donepezil (hydrochloride)

    13. Donepezil, Hcl

    14. 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1h-inden-1-one Hydrochloride

    15. Nsc-737535

    16. Nsc-758882

    17. Chembl1678

    18. 3o2t2pj89d

    19. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride

    20. 2-(1-benzyl-4-piperidylmethyl)-5,6-dimethoxy-1-indanone Hydrochloride

    21. 120011-70-3 (hcl)

    22. E2020;e-2020

    23. Dsstox_cid_26698

    24. Dsstox_rid_81832

    25. Dsstox_gsid_46698

    26. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-, Hydrochloride (1:1)

    27. Eranz

    28. 2-(1-benzyl-piperidin-4-ylmethyl)-5,6-dimethoxy-indan-1-one Hydrochloride

    29. E 2020 (pharmaceutical)

    30. Smr000449292

    31. Cas-120011-70-3

    32. Donepezil Hydrochloride [usan]

    33. Nsc 737535

    34. Nsc 758882

    35. Ncgc00167537-01

    36. Unii-3o2t2pj89d

    37. Memorit

    38. Memac

    39. Aricept Evess

    40. Donepezil,hcl

    41. Aricept D

    42. (+/-)-2-((1-benzyl-4-piperidyl)methyl)-5,6-dimethoxy-1-indanone Hydrochloride

    43. (+/-)-2-[(1-benzyl-4-piperidyl)methyl]-5,6-dimethoxy-1-indanone Hydrochloride

    44. Aricept (tn)

    45. Donepezil Hydrochloride [usan:usp]

    46. Adlarity

    47. Donepezil, Hydrochloride

    48. 1-benzyl-4-((5,6-dimethoxy-1-indanon)-2-yl)methylpiperidine Hcl

    49. Donepezil Hcl (aricept)

    50. Donepezil Hcl - Bio-x

    51. Schembl1815

    52. Donepezil Hydrochloride,(s)

    53. Mls000758276

    54. Mls001401387

    55. Chebi:4696

    56. Dtxsid0046698

    57. Pharmakon1600-01504403

    58. Act02683

    59. Amy40527

    60. Bcp02205

    61. Bcp24884

    62. Hy-b0034

    63. Donepezil Hydrochloride [mi]

    64. Tox21_112534

    65. Ac-913

    66. Donepezil Hydrochloride (jp17/usp)

    67. Donepezil Hydrochloride [jan]

    68. Mfcd00881312

    69. Nsc737535

    70. Nsc758882

    71. S2462

    72. Akos000277343

    73. Akos016340656

    74. Tox21_112534_1

    75. Ccg-101043

    76. Ccg-213309

    77. Cs-0863

    78. Donepezil Hydrochloride [mart.]

    79. Donepezil Hydrochloride [vandf]

    80. Ks-1051

    81. Nc00293

    82. (+-)-2-((1-benzyl-4-piperidyl)methyl)-5,6-dimethoxy-1-indanone Hydrochloride

    83. Donepezil Hydrochloride [usp-rs]

    84. Donepezil Hydrochloride [who-dd]

    85. Ncgc00167537-02

    86. 1h-inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-, Hydrochloride

    87. Bd164380

    88. D4099

    89. Donepezil Hydrochloride [orange Book]

    90. Ft-0602354

    91. Ft-0625589

    92. Donepezil Hydrochloride [ep Monograph]

    93. D00670

    94. Donepezil Hydrochloride [usp Monograph]

    95. E-2022

    96. Namzaric Component Donepezil Hydrochloride

    97. 119d841

    98. A804411

    99. Donepezil Hydrochloride Component Of Namzaric

    100. Donepezil Hydrochloride Monohydrate, >=98% (hplc)

    101. Q-100096

    102. Q-201040

    103. Q27106438

    104. Donepezil Hydrochloride 1.0 Mg/ml In Methanol (as Free Base)

    105. 2,3-dihydro-5,6-dimethoxy-2-((1-(phenylmethyl)-4-piperidinyl)methyl)-1h-inden-1-one Hcl

    106. 2,3-dihydro-5,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]-1h-inden-1-one

    107. (+-)-2,6-dimethoxy-2-[[1-(phenylmethyl)-4-piperidinyl]methyl]-1h-inden-1-one Hydrochloride

    108. 2-((1-benzylpiperidin-4-yl)methyl)-5,6-dimethoxy-2,3-dihydro-1h-inden-1-one Hydrochloride 120014-06-

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 416.0 g/mol
    Molecular Formula C24H30ClNO3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass415.1914215 g/mol
    Monoisotopic Mass415.1914215 g/mol
    Topological Polar Surface Area38.8 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity510
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cholinesterase Inhibitors

    Drugs that inhibit cholinesterases. The neurotransmitter ACETYLCHOLINE is rapidly hydrolyzed, and thereby inactivated, by cholinesterases. When cholinesterases are inhibited, the action of endogenously released acetylcholine at cholinergic synapses is potentiated. Cholinesterase inhibitors are widely used clinically for their potentiation of cholinergic inputs to the gastrointestinal tract and urinary bladder, the eye, and skeletal muscles; they are also used for their effects on the heart and the central nervous system. (See all compounds classified as Cholinesterase Inhibitors.)

    Nootropic Agents

    Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms. (See all compounds classified as Nootropic Agents.)

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    Cholinesterase Inhibitors [MoA]; Cholinesterase Inhibitor [EPC]