beta-Acetyldigoxin

Base Information

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

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:

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 31 raw suppliers

Chemical Property of beta-Acetyldigoxin

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:

Reference yield: 98.0%

: 75-36-5
acetyl chloride

: 20830-75-5
digoxin

: 5355-48-6,63721-69-7
beta-Acetyldigoxin

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

Reference yield:

: 75-36-5
acetyl chloride

: 20830-75-5
digoxin

: 5355-48-6,63721-69-7
beta-Acetyldigoxin

: 5511-98-8
3'''-acetyldigoxin

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