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

CAS: 120013-45-8 Cat. No.: D334816 Formula: C₂₄H₂₉NO₂ Peso molecolare: 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

Panoramica

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

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504765506

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765506

Sorrisi canonici

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

Isomeri SMILES

COC1=C(C=C2C=C(CC2=C1)CC3CCN(CC3)CC4=CC=CC=C4)OC

Peso molecolare

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
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Chloroform
• Punto di fusione (°C): 101-110°C
• Peso molecolare: 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