Desethylamiodarone

Base Information

• Chemical Name: Desethylamiodarone
• CAS No.: 83409-32-9
• Deprecated CAS: 102053-34-9
• Molecular Formula: C₂₃H₂₅I₂NO₃
• Molecular Weight: 617.265
• Hs Code.: 29211990
• UNII: M31FU99E3Y
• DSSTox Substance ID: DTXSID00232344
• Nikkaji Number: J345.142I
• Wikidata: Q27283413
• Metabolomics Workbench ID: 144746
• ChEMBL ID: CHEMBL1600
• Mol file: 83409-32-9.mol

Synonyms:deethylamiodarone;desethylamiodarone;N-desethylamiodarone

Chemical Property of Desethylamiodarone

Chemical Property:

• Vapor Pressure: 8.51E-16mmHg at 25°C
• Boiling Point: 630.3 °C at 760 mmHg
• Flash Point: 335 °C
• PSA: 51.47000
• Density: 1.638 g/cm³
• LogP: 6.59480
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 616.99239
• Heavy Atom Count: 29
• Complexity: 508

Purity/Quality:

98%min ^*data from raw suppliers

N-DesethylAmiodarone-d4Hydrochloride 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCNCC)I
• Uses: A metabolite of Amiodarone, a non-selective ion channel blocker

Technology Process of Desethylamiodarone

There total 5 articles about Desethylamiodarone 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:

Amiodarone (1951-25-3) → desethylamiodarone (83409-32-9) + 2-n-butyl-3-(3-iodo-4-hydroxybenzoyl)-benzofuran (147030-50-0) + 2-n-butyl-3-(3',5'-diiodo-4'-hydroxybenzoyl)benzofuran (1951-26-4) + Desethyl-deiodo-amiodarone

Guidance literature:

In water; for 2h; Kinetics; Irradiation;

DOI:10.1016/j.chemosphere.2021.133420

Reference yield:

Amiodarone (1951-25-3) → desethylamiodarone (83409-32-9) + Deiodoamiodarone (85642-08-6)

Guidance literature:

With ammonium hydroxide; ammonium formate; In acetonitrile; Reactivity; Electrochemical reaction;

DOI:10.1021/ac801878k

Reference yield:

Amiodarone (1951-25-3) → desethylamiodarone (83409-32-9)

Guidance literature:

in vivo metabolism (human);

DOI:10.1002/jps.2600740418

upstream raw materials:

Amiodarone

Refernces

• 1、 Lohmann, Wiebke,Meermann, Bjoern,Moeller, Ines,Scheffer, Andy,Karst, Uwe. "Quantification of electrochemically generated iodine-containing metabolites using inductively coupled plasma mass spectrometry". . p. 9769 - 9775. Retrieved 2008.
• 2、 Skibiński, Robert,Trawiński, Jakub. "Comparative analysis of in vivo and in silico toxicity evaluation of the organoiodine compounds towards D. magna using multivariate chemometric approach: A study on the example of amiodarone phototransformation products". . . Retrieved 2022/01/06.