5,6-Dimethoxy-2-(4-pyridylmethyl)-1-indanone - CAS 4803-57-0
Catalog: |
BB026450 |
Product Name: |
5,6-Dimethoxy-2-(4-pyridylmethyl)-1-indanone |
CAS: |
4803-57-0 |
Synonyms: |
Donepezil impurity; (+/-)-5,6-Dimethoxy-2-(pyridin-4-ylmethyl)indan-1-one; 2,3-dihydro-5,6-dimethoxy-2-((pyridin-4-yl)methyl)inden-1-one |
Application: |
Donepezil (D531750) impurity. |
IUPAC Name: | 5,6-dimethoxy-2-(pyridin-4-ylmethyl)-2,3-dihydroinden-1-one |
Description: | 5,6-Dimethoxy-2-(4-pyridylmethyl)-1-indanone is one of Donepezil impurities. Donepezil, a highly specific reversible acetylcholinesterase (AChE) inhibitor, is used to treat moderate to severe Alzheimer's disease. |
Molecular Weight: | 283.32 |
Molecular Formula: | C17H17NO3 |
Canonical SMILES: | COC1=C(C=C2C(=C1)CC(C2=O)CC3=CC=NC=C3)OC |
InChI: | InChI=1S/C17H17NO3/c1-20-15-9-12-8-13(7-11-3-5-18-6-4-11)17(19)14(12)10-16(15)21-2/h3-6,9-10,13H,7-8H2,1-2H3 |
InChI Key: | RGPDMDJBVKHZFW-UHFFFAOYSA-N |
Boiling Point: | 475.0±45.0 °C (Predicted) |
Melting Point: | 190-191 °C |
Purity: | > 95 % |
Density: | 1.208±0.06 g/cm3 (Predicted) |
Appearance: | Pale yellow solid |
Storage: | -20 °C |
LogP: | 2.69650 |
Publication Number | Title | Priority Date |
CN-111265524-A | Compositions containing mixtures of indene or indane derivatives and uses thereof | 20200204 |
CN-112641773-A | Composition containing heterocyclic compound and use thereof | 20200108 |
EP-2759536-A1 | Oxidisable pyridine derivatives, their preparation and use as anti-Alzheimer agents | 20130125 |
EP-2948429-B1 | Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents | 20130125 |
US-2015353493-A1 | Oxidisable pyridine derivatives, their preparation and use as anti-alzheimer agents | 20130125 |
PMID | Publication Date | Title | Journal |
15336352 | 20040903 | Identification and characterization of potential impurities of donepezil | Journal of pharmaceutical and biomedical analysis |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.1208434 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS