Dehydrodeoxy Donepezil (Donepezil Impurity) - ≥97% , CAS No.120013-45-8

CAS: 120013-45-8 Cat. No.: D334816 Molecular Weight: 363.49

GRADE & PURITY ≥97%

Synonyms

AMY38954 | DONEPEZIL INDENE | SY248493 | MFCD16294189 | BCP07596 | DEHYDRODEOXY DONEPEZIL | Piperidine, 4-((5,6-dimethoxy-1H-inden-2-yl)methyl)-1-(phenylmethyl)- | 1-Benzyl-4-((5,6-dimethoxy-1H-inden-2-yl)methyl)piperidine | AKOS030240605 | FT-0665603 | 1

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Dehydrodeoxy Donepezil is a Donepezil Impurity . Acts as an inhibitor of acetylcholinesterase (AChE).

Specifications

Synonyms

AMY38954 | DONEPEZIL INDENE | SY248493 | MFCD16294189 | BCP07596 | DEHYDRODEOXY DONEPEZIL | Piperidine, 4-((5, 6-dimethoxy-1H-inden-2-yl)methyl)-1-(phenylmethyl)- | 1-Benzyl-4-((5, 6-dimethoxy-1H-inden-2-yl)methyl)piperidine | AKOS030240605 | FT-0665603 | 1

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504765506
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765506
• Canonical Smiles: COC1=C(C=C2C=C(CC2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC
• IUPAC Name: 1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine
• InChIKey: WEXHLNQRFRJSQX-UHFFFAOYSA-N
• INCHI: 1S/C24H29NO2/c1-26-23-15-21-13-20(14-22(21)16-24(23)27-2)12-18-8-10-25(11-9-18)17-19-6-4-3-5-7-19/h3-7,13,15-16,18H,8-12,14,17H2,1-2H3
• Isomeric SMILES: COC1=C(C=C2C=C(CC2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC
• Molecular Weight: 363.49
• Reaxy-Rn: 7437643
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7437643&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzylpiperidines
• Alternative Parents: Indenes and isoindenes Phenylmethylamines Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-benzylpiperidine - Indene - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in Chloroform
• Melt Point(°C): 101-110°C
• Molecular Weight: 363.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 363.22 Da
• Monoisotopic Mass: 363.22 Da
• Topological Polar Surface Area: 21.700 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1