Desbenzyl Donepezil Hydrochloride - CAS 120013-39-0

Name: Desbenzyl Donepezil Hydrochloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004697
Product Name:	Desbenzyl Donepezil Hydrochloride
CAS:	120013-39-0
Synonyms:	5,6-Dimethoxy-2-[(4-piperidyl)methyl]-1-indanone Hydrochloride; 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-, hydrochloride (1:1); 1H-Inden-1-one, 2,3-dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-, monohydrochloride; 4-[(5,6-Dimethoxy-1-oxoindan-2-yl)methyl]piperidine hydrochloride; Donepezil Desbenzyl Impurity

Technical Data

Related CAS:	120014-30-4 (free base)
IUPAC Name:	5,6-dimethoxy-2-(piperidin-4-ylmethyl)-2,3-dihydroinden-1-one;hydrochloride
Description:	Desbenzyl Donepezil Hydrochloride is an impurity of Donepezil, which is a centrally acting reversible acetyl cholinesterase inhibitor for the treatment of moderate to severe Alzheimer's disease.
Molecular Weight:	325.83
Molecular Formula:	C17H24ClNO3
Canonical SMILES:	COC1=C(C=C2C(=C1)CC(C2=O)CC3CCNCC3)OC.Cl
InChI:	InChI=1S/C17H23NO3.ClH/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2;/h9-11,13,18H,3-8H2,1-2H3;1H
InChI Key:	WOZXDQQCMZIQEG-UHFFFAOYSA-N
Melting Point:	249-250°C (dec.)
Purity:	≥95%
Solubility:	Soluble in Chloroform (Slightly), DMSO (Sparingly), Methanol (Slightly)
Appearance:	Off-white to pale yellow solid
Storage:	Store at 2-8°C
MDL:	MFCD09033179
LogP:	3.57930

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
BR-102013030928-A2	process for the preparation of donepezil hydrochloride forms i and iii; and an intermediate compound thereof	20131129
WO-2015109377-A1	Process for preparing donepezil hydrochloride forms i and iii; and an intermediate compound thereof	20131129
EP-1654230-A1	Preparation of intermediates for acetyl cholinesterase inhibitors	20030701
US-2006041140-A1	Preparation of intermediates for acetyl cholinesterase inhibitors	20030701
US-7446203-B2	Preparation of intermediates for acetycholinesterase inhibitors	20030701

Complexity:	367
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	325.1444713
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	325.1444713
Rotatable Bond Count:	4
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0