Digoxin acetonide | CAS# 27799-54-8 | Biochemical

MedKoo Cat#: 577690 | Name: Digoxin acetonide

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Digoxin acetonide is a cardiotonic glycoside.

Chemical Structure

Digoxin acetonide

CAS#27799-54-8

Theoretical Analysis

MedKoo Cat#: 577690

Name: Digoxin acetonide

CAS#: 27799-54-8

Chemical Formula: C44H70O15

Exact Mass: 838.4715

Molecular Weight: 839.03

Elemental Analysis: C, 62.99; H, 8.41; O, 28.60

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

Digoxin acetonide; Mono-O-isopropylidene digoxin, O-Isopropylidene digoxin

IUPAC/Chemical Name

4-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2R,4S,5S,6S)-4,6-dihydroxy-5-(((3aR,4R,6S,7aS)-2,2,4-trimethyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-12,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one compound with methane (1:1)

InChi Key

BRAYTPGAICDRQT-IAOJQKLGSA-N

InChi Code

InChI=1S/C43H66O15.CH4/c1-20-36(54-34-17-29(45)38(39(48)56-34)55-35-18-30-37(21(2)52-35)58-40(3,4)57-30)28(44)16-33(51-20)53-24-9-11-41(5)23(14-24)7-8-26-27(41)15-31(46)42(6)25(10-12-43(26,42)49)22-13-32(47)50-19-22;/h13,20-21,23-31,33-39,44-46,48-49H,7-12,14-19H2,1-6H3;1H4/t20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34-,35+,36-,37-,38+,39+,41+,42+,43+;/m1./s1

SMILES Code

C.C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@@H]4OC(C)(C)O[C@@H]4[C@@H](C)O3)[C@@H](O)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 839.03 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Ehle M, Patel C, Giugliano RP. Digoxin: clinical highlights: a review of digoxin and its use in contemporary medicine. Crit Pathw Cardiol. 2011 Jun;10(2):93-8. doi: 10.1097/HPC.0b013e318221e7dd. Review. PubMed PMID: 21988950. 2: Felicilda-Reynaldo RF. Cardiac glycosides, digoxin toxicity, and the antidote. Medsurg Nurs. 2013 Jul-Aug;22(4):258-61. PubMed PMID: 24147325. 3: Huh JR, Leung MW, Huang P, Ryan DA, Krout MR, Malapaka RR, Chow J, Manel N, Ciofani M, Kim SV, Cuesta A, Santori FR, Lafaille JJ, Xu HE, Gin DY, Rastinejad F, Littman DR. Digoxin and its derivatives suppress TH17 cell differentiation by antagonizing RORγt activity. Nature. 2011 Apr 28;472(7344):486-90. doi: 10.1038/nature09978. Epub 2011 Mar 27. PubMed PMID: 21441909; PubMed Central PMCID: PMC3172133. 4: Yukawa M, Yukawa E, Suematsu F, Takiguchi T, Ikeda H, Aki H, Mimemoto M. Determination of digoxin clearance in Japanese elderly patients for optimization of drug therapy: a population pharmacokinetics analysis using nonlinear mixed-effects modelling. Drugs Aging. 2011 Oct 1;28(10):831-41. doi: 10.2165/11594230-000000000-00000. PubMed PMID: 21970310. 5: Cambridge D, Morgan CR, Allen G. Digoxin and digoxin derivative induced arrhythmias: in vitro binding and in vivo abolition of arrhythmias by digoxin immune Fab (DIGIBAND). Cardiovasc Res. 1992 Sep;26(9):906-11. PubMed PMID: 1451168.