AG004S2Y

844694-85-5 | Donepezil benzyl bromide

AG004S2Y

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CAS Number	844694-85-5
Catalog Number	AG004S2Y(AGN-PC-00COK1)
Chemical Name	Donepezil benzyl bromide
IUPAC Name	2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;bromide
InChI	InChI=1S/C31H36NO3.BrH/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;1H/q+1;/p-1
InChI Key	SSZOWVQOUFMSCQ-UHFFFAOYSA-M
MDL Number	MFCD16294188
Molecular Formula	C31H36BrNO3
Molecular Weight	550.5264
SMILES	O=C1C2C=C(C(=CC=2CC1CC1CC[N+](CC2C=CC=CC=2)(CC2C=CC=CC=2)CC1)OC)OC.[Br-]
Synonyms	844694-85-5, Donepezil Benzyl Bromide (Donepezil Impurity), Donepezil Benzyl Bromide Impurity, Piperidinium,4-[(2,3-dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl]-1,1-bis(phenylmethyl)-,bromide (1:1), 1,1-Dibenzyl-4-((5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)piperidin-1-ium bromide, Donepezilbenzyl bromide, (+/-)-Donepezilbenzyl bromide, Donepezil benzyl bromide, Donepezil impurity, donepezilbenzyl bromide- [USP], CTK5F2379, Donepezil hydrochloride impurity, donepezilbenzyl bromide- [USP], AKOS030255252, Piperidinium, 4-((2,3-dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl)-1,1-bis(phenylmethyl)-, bromide (1:1), Donepezil benzyl bromide(donepezil impurity), RT-012409, FT-0667768, A1-06474, 1,1-Dibenzyl-4-[(5,6-dimethoxy-1oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium Bromide, 2-[(1,1-Dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one,bromide, 2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;bromide, 1,1-dibenzyl-4-((5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)piperidinium bromide, UNII-2L83S3XLZA, Donepezil quaternary salt, 2L83S3XLZA, SSZOWVQOUFMSCQ-UHFFFAOYSA-M, CS-O-11128, CID11613681, CID 11613681,

Complexity	653
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	549.188g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	550.537g/mol
Monoisotopic Mass	549.188g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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