Deoxydonepezil
Basic information
- CAS
844694-84-4- Standard SMILES
COc1cc2c(cc1OC)CC(CC1CCN(Cc3ccccc3)CC1)C2- InChIKey
DUOWFFYJKGBOQB-UHFFFAOYSA-N- Molecular formula
- C24H31NO2
- Average molar mass
- 365.5 g/mol
- Monoisotopic mass
- 365.23547923
Names & identifiers
- Preferred name
- Deoxydonepezil
- IUPAC
- 1-benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine
- English name
- Donepezil Impurity
- Molecular formula
- C24H31NO2
- Molecular weight
- 365.51
Names & synonyms
Deoxydonepezil844694-84-4UNII-R1RR44GBENR1RR44GBENDTXSID20233439Piperidine, 4-((2,3-dihydro-5,6-dimethoxy-1H-inden-2-yl)methyl)-1-(phenylmethyl)-1-BENZYL-4-((5,6-DIMETHOXYINDAN-2-YL)METHYL)PIPERIDINEDonepezil impurity, deoxydonepezil-(USP)Donepezil impurity, deoxydonepezil-[USP]Donepezil hydrochloride impurity, deoxydonepezil-(USP)Donepezil hydrochloride impurity, deoxydonepezil-[USP]RefChem:131946
Show more names
Donepezil-012Donepezil DeoxyDonepezil Deoxy ImpDonepezil Impurity IDonepezil Impurity 21 HCl1-Benzyl-4-[(5,6-dimethoxy-2,3-dihyDonepezil Deoxy Impurity - Free base2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindane1-benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]...
DTXCID701559301-benzyl-4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidine1-Benzyl-4-((5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl)piperidineMFCD21496301CHEMBL486699Donepezil impurity EDonepezil impurity, deoxydonepezil- [USP]orb3215197
Database identifiers
- CAS
844694-84-4- PubChem CID
- 23653045
- DTXSID
DTXSID20233439- ChEMBL
CHEMBL1187012、CHEMBL486699- UNII
- R1RR44GBEN
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Boiling point
- 485.5 · 485.5±45.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.10(Predicted)
- FDA UNII
- 1 RR44GBEN · R1RR44GBEN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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