Itrocainide

Base Information

• Chemical Name: Itrocainide
• CAS No.: 90828-99-2
• Molecular Formula: C23H27 N3 O
• Molecular Weight: 0
• UNII: 79EDP2VHY8
• DSSTox Substance ID: DTXSID70238292
• Nikkaji Number: J33.149J
• Wikidata: Q27266753
• NCI Thesaurus Code: C65993
• ChEMBL ID: CHEMBL2105130
• Mol file: 90828-99-2.mol

Synonyms:Itrocainide;90828-99-2;Itrocainide [INN];UNII-79EDP2VHY8;79EDP2VHY8;N-[2-(diethylamino)ethyl]-1-(2-methylphenyl)isoquinoline-4-carboxamide;N-(2-(Diethylamino)ethyl)-1-o-tolyl-4-isoquinolinecarboxamide;SCHEMBL1812213;CHEMBL2105130;DTXSID70238292;Q27266753;N-(2-(Diethylamino)ethyl)-1-o-tolyl-4-isoquinolinecarboxamide.

Chemical Property of Itrocainide

Chemical Property:

• Vapor Pressure: 2.66E-11mmHg at 25°C
• Boiling Point: 529.6°Cat760mmHg
• Flash Point: 274.1°C
• PSA: 48.72000
• Density: 1.1g/cm³
• LogP: 4.85660
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 361.215412493
• Heavy Atom Count: 27
• Complexity: 465

Purity/Quality:

99% ^*data from raw suppliers

Itrocainide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCNC(=O)C1=CN=C(C2=CC=CC=C21)C3=CC=CC=C3C
• Uses: Itrocainide is an isoquinoline based compound with some antiarrhythmic activity.

Technology Process of Itrocainide

There total 1 articles about Itrocainide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

1-(2-methylphenyl)-isoquinoline-4-carboxylic acid → N-(2-(Diethylamino)-ethyl)-1-(2-methylphenyl)-isoquinoline-4-carboxylic acid amide (90828-99-2)

Guidance literature:

In thionyl chloride; toluene;