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beta-Acetyldigoxin

Base Information Edit
  • Chemical Name:beta-Acetyldigoxin
  • CAS No.:5355-48-6
  • Molecular Formula:C43H66O15
  • Molecular Weight:822.988
  • Hs Code.:
  • European Community (EC) Number:226-337-5
  • UNII:P7K44M64CW
  • DSSTox Substance ID:DTXSID30201760
  • Nikkaji Number:J15.710D
  • Wikidata:Q18030160
  • Metabolomics Workbench ID:198630
  • Mol file:5355-48-6.mol
beta-Acetyldigoxin

Synonyms:Acetyldigoxins;alpha Acetyldigoxin;alpha-Acetyldigoxin;beta Acetyldigoxin;beta-Acetyldigoxin;ct, digox von;Desglucolanatosides C;Didier, Digoxin;Digostada;Digotab;digox von ct;Digoxin Didier;Gladixol N;glycotop;Kardiamed;Longdigox;Novodigal;Stillacor;von ct, digox

Suppliers and Price of beta-Acetyldigoxin
Supply Marketing:Edit
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
  • Usbiological
  • b-Acetyl digoxin
  • 1mg
  • $ 595.00
  • TRC
  • β-AcetylDigoxin
  • 5mg
  • $ 1005.00
  • Sigma-Aldrich
  • β-Acetyldigoxin European Pharmacopoeia (EP) Reference Standard
  • $ 190.00
  • Sigma-Aldrich
  • β-Acetyldigoxin European Pharmacopoeia (EP) Reference Standard
  • y0000565
  • $ 190.00
  • Sigma-Aldrich
  • β-Acetyldigoxin for peak identification European Pharmacopoeia (EP) Reference Standard
  • y0000642
  • $ 190.00
  • Medical Isotopes, Inc.
  • β-AcetylDigoxin
  • 10 mg
  • $ 2200.00
  • Biosynth Carbosynth
  • beta-Acetyldigoxin
  • 1 mg
  • $ 150.00
  • Biosynth Carbosynth
  • beta-Acetyldigoxin
  • 5 mg
  • $ 520.00
  • Biosynth Carbosynth
  • beta-Acetyldigoxin
  • 10 mg
  • $ 860.00
  • Biosynth Carbosynth
  • beta-Acetyldigoxin
  • 2 mg
  • $ 250.00
Total 26 raw suppliers
Chemical Property of beta-Acetyldigoxin Edit
Chemical Property:
  • Melting Point:271-273oC 
  • Refractive Index:1.5940 (estimate) 
  • Boiling Point:930.3 °C at 760 mmHg 
  • PKA:13.41±0.70(Predicted) 
  • Flash Point:273.6 °C 
  • PSA:209.13000 
  • Density:1.34 g/cm3 
  • LogP:2.78890 
  • Storage Temp.:-20°C Freezer 
  • Solubility.:Practically insoluble in water, sparingly soluble in methylene chloride, slightly soluble in ethanol (96 per cent). 
  • XLogP3:1.8
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:15
  • Rotatable Bond Count:9
  • Exact Mass:822.44017139
  • Heavy Atom Count:58
  • Complexity:1560
Purity/Quality:

99% *data from raw suppliers

b-Acetyl digoxin *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O
  • Isomeric SMILES:C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)O)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)O)O
  • Uses Digoxin derivative, a cardiotonic glycosides
  • Therapeutic Function Cardiotonic
Technology Process of beta-Acetyldigoxin

There total 5 articles about beta-Acetyldigoxin 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:
Guidance literature:
With C17H29N3O2; N,N-diisopropylethylamine hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 4 ℃; for 16h; regioselective reaction;
DOI:10.1038/nchem.1726
Guidance literature:
With (2R,4S)-4-isopropyl-2-methoxy-3-((R)-2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl)oxazolidine; N,N-diisopropylethylamine hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 4 ℃; for 16h; Overall yield = 56 %; regioselective reaction;
DOI:10.1038/nchem.1726
Guidance literature:
With enzyme-substance from digitalis lanata;
DOI:10.1002/hlca.19340170169
upstream raw materials:

lanatoside C

3'''-acetyldigoxin

acetyl chloride

digoxin

Downstream raw materials:

digoxin

digoxigenin

Refernces Edit
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