Donepezilbenzyl bromide
Basic information
- CAS
844694-85-5- Standard SMILES
COc1cc2c(cc1OC)C(=O)C(CC1CC[N+](Cc3ccccc3)(Cc3ccccc3)CC1)C2.[Br-]- InChIKey
SSZOWVQOUFMSCQ-UHFFFAOYSA-M- Molecular formula
- C31H36BrNO3
- Average molar mass
- 550.5 g/mol
- Monoisotopic mass
- 549.18786
Names & identifiers
- Preferred name
- Donepezilbenzyl bromide
- IUPAC
- 2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one bromide
- English name
- Donepezil Benzyl Bromide (Donepezil Impurity)
- Molecular formula
- C31H36BrNO3
- Molecular weight
- 0
Names & synonyms
844694-85-5Donepezilbenzyl bromideDonepezil Benzyl Bromide (Donepezil Impurity)Donepezil benzyl bromide(+/-)-Donepezilbenzyl bromide1,1-Dibenzyl-4-((5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)piperidin-1-ium bromide2L83S3XLZAPiperidinium,4-[(2,3-dihydro-5,6-dimethoxy-1-oxo-1H-inden-2-yl)methyl]-1,1-bis(phenylmethyl)-,bromide (1:1)Donepezil Benzyl Bromide ImpurityMFCD162941881,1-Dibenzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]-1-piperidinium Bromide2-[(1,1-dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;bromide
Show more names
Donepezil-004-BrDonepezil ImpurityDonepezil Impurity 1DONEPEZIL QUATERRY SALTDonepezil quaternary saltDonepezil Bromide ImpurityDonepezil Impurity 20 Bromide1,1-Dibenzyl-4-[(5,6-dimethoxy-1oxoDonatrilide benzyl bromide hydrochloride
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-oxoindan-2-yl) methyl]piperidinium bromideUNII-2L83S3XLZA1,1-Dibenzyl-4-[(5,6-dimethoxy-1oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium Bromide2-[(1,1-Dibenzylpiperidin-1-ium-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one,bromideC31H36BrNO3Donepezil impurity, donepezilbenzyl bromide- [USP]orb3217193
Database identifiers
- CAS
844694-85-5- PubChem CID
- 11613681
- UNII
- 2L83S3XLZA
Properties
Computed structural properties
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- Melting point
- 191 · 191-196°C
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- form
- Solid
- color
- White to Off-White
- Major Application
- pharmaceutical small molecule
- FDA UNII
- 2 L83S3XLZA · 2L83S3XLZA
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H400
- Precautionary statements
- 264 · P264-P273-P280-P301+P312-P302+P352-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H400
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P273-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAn impurity of Donepezil.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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