Celivarone

Base Information

Chemical Name:Celivarone
CAS No.:401925-43-7
Molecular Formula:C34H47NO4
Molecular Weight:533.74100
Hs Code.:
European Community (EC) Number:686-167-6
UNII:K45001587E
DSSTox Substance ID:DTXSID50960620
Nikkaji Number:J3.119.002I
Wikipedia:Celivarone
Wikidata:Q5058118
NCI Thesaurus Code:C81431
Metabolomics Workbench ID:155948
ChEMBL ID:CHEMBL3707403
Mol file:401925-43-7.mol

Synonyms:ATI 2042;ATI-2042;ATI2042;celivarone;SSR149744C

Suppliers and Price of Celivarone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Celivarone

Chemical Property:

PSA：59.75000
LogP:8.40640
XLogP3:9.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:18
Exact Mass:533.35050898
Heavy Atom Count:39
Complexity:708

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC(C)C)C(=O)C3=CC=C(C=C3)CCCN(CCCC)CCCC
Recent ClinicalTrials:Dose Ranging Study of Celivarone With Amiodarone as Calibrator for the Prevention of Implantable Cardioverter Defibrillator (ICD) Interventions or Death
Recent EU Clinical Trials:Double blind placebo controlled dose ranging study of the efficacy and safety of celivarone at 50, 100 or 300 mg OD with Amiodarone as calibrator for the prevention of ICD interventions or death.

Technology Process of Celivarone

There total 7 articles about Celivarone 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: 72.0%

: isopropyl 2-butyl-3-[4-(3-bromopropyl)benzoyl]-1-benzofuran-5-carboxylate

: 401925-43-7
isopropyl 2-butyl-3-{4-[3-(dibutylamino)propyl]benzoyl}-1-benzofuran-5-carboxylate

Guidance literature:: With potassium carbonate; dibutylamine; sodium iodide; In acetonitrile; for 18h; Heating / reflux;

Reference yield: 38.0%

: 2-propyl 4-({[(1Z)-1-ethoxyethylidene]amino}oxy)benzoate

: 1356411-41-0
1-{4-[3-(dibutylamino)propyl]phenyl}heptane-1,3-dione

: 401925-43-7
isopropyl 2-butyl-3-{4-[3-(dibutylamino)propyl]benzoyl}-1-benzofuran-5-carboxylate

Guidance literature:: With hydrogenchloride; formic acid; In water; at 50 ℃; for 2h;

Reference yield:

: 104-52-9
phenylpropyl chloride

: 401925-43-7
isopropyl 2-butyl-3-{4-[3-(dibutylamino)propyl]benzoyl}-1-benzofuran-5-carboxylate

Guidance literature:: Multi-step reaction with 4 steps

1.1: aluminum (III) chloride / dichloromethane / 0.5 h / -7 - 20 °C

1.2: 0 °C

1.3: 1.5 h / 10 °C

2.1: sodium iodide / 0.23 h / 20 °C / Reflux

3.1: sodium methylate / 1-methyl-pyrrolidin-2-one / 5 - 20 °C

4.1: hydrogenchloride; formic acid / water / 2 h / 50 °C

With hydrogenchloride; aluminum (III) chloride; formic acid; sodium methylate; sodium iodide; In 1-methyl-pyrrolidin-2-one; dichloromethane; water;