1-Benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine Hydrochloride - CAS 1034439-57-0
Catalog:
BB001130
Product Name:
1-Benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine Hydrochloride
CAS:
1034439-57-0
Synonyms:
4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]-1-(phenylmethyl)piperidine;hydrochloride; 1-benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine;hydrochloride
Application:
An impurity of Donepezil.
Ordering Information
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BB001130
100 mg
$1159
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Related CAS: 844694-84-4 (free base)
IUPAC Name: 1-benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine;hydrochloride
Description: Deoxy Donepezil Hydrochloride is an impurity of Donepezil, a medication for the treatment of Alzheimer's disease.
Molecular Weight: 401.97
Molecular Formula: C24H32ClNO2
Canonical SMILES: COC1=C(C=C2CC(CC2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC.Cl
InChI: InChI=1S/C24H31NO2.ClH/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19;/h3-7,15-16,18,20H,8-14,17H2,1-2H3;1H
InChI Key: PJOSEOQZAOZSMV-UHFFFAOYSA-N
Melting Point: >197 °C (dec.)
Appearance: White to off-white solid
LogP: 5.46080
Publication Number Title Priority Date
BR-112012008014-B1 IMINOTIADIAZINE DIOXIDE COMPOUND AND PHARMACEUTICALLY ACCEPTABLE SALT OF A COMPOUND OR TAUTOMER OF THE SAME 20091008
MX-2011005046-A GAMMA SECRETASA MODULATORS. 20081113
PMID Publication Date Title Journal
18517184 20080626 Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation Journal of medicinal chemistry
Complexity: 422
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 401.212157
Formal Charge: 0
Heavy Atom Count: 28
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 401.212157
Rotatable Bond Count: 6
Topological Polar Surface Area: 21.7
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
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Piperidines
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