Cas no 845252-34-8 (Donepezil impurity C)

Donepezil impurity C structure
Donepezil impurity C structure
Product Name:Donepezil impurity C
CAS No:845252-34-8
MF:C31H36NO3
MW:470.622448921204
CID:847148
PubChem ID:11613682
Update Time:2025-04-19

Donepezil impurity C Chemical and Physical Properties

Names and Identifiers

    • Donepezil impurity C
    • 2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
    • PIPERIDINIUM, 4-[(2,3-DIHYDRO-5,6-DIMETHOXY-1-OXO-1H-INDEN-2-YL)METHYL]-1,1-BIS(PHENYLMETHYL)-
    • Piperidinium, 4-((2,3-dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl)-1,1-bis(phenylmethyl)-
    • Q27237024
    • 845252-34-8
    • UNII-0O4999NFXI
    • Donepezil quaternary salt
    • SCHEMBL5049046
    • Donepezilbenzyl cation
    • 0O4999NFXI
    • (+/-)-Donepezilbenzyl cation
    • 1,1-DIBENZYL-4-((5,6-DIMETHOXY-1-OXOINDAN-2-YL)METHYL)PIPERIDINIUM
    • Inchi: 1S/C31H36NO3/c1-34-29-19-26-18-27(31(33)28(26)20-30(29)35-2)17-23-13-15-32(16-14-23,21-24-9-5-3-6-10-24)22-25-11-7-4-8-12-25/h3-12,19-20,23,27H,13-18,21-22H2,1-2H3/q+1
    • InChI Key: UDDYCDNLGYWNNO-UHFFFAOYSA-N
    • SMILES: O=C1C2C=C(C(=CC=2CC1CC1CC[N+](CC2C=CC=CC=2)(CC2C=CC=CC=2)CC1)OC)OC

Computed Properties

  • Exact Mass: 470.26951901g/mol
  • Monoisotopic Mass: 470.26951901g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 35
  • Rotatable Bond Count: 8
  • Complexity: 653
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 35.5?2
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