MedKoo Cat#: 581655 | Name: Debutyldronedarone

Description:

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

Debutyldronedarone is a major circulating active metabolite of dronedarone in humans. Dronedarone is a derivative of amiodarone--a popular antiarrhythmic drug. It was developed to overcome the limiting iodine-associated toxicities of amiodarone.

Chemical Structure

Debutyldronedarone
Debutyldronedarone
CAS#141626-35-9

Theoretical Analysis

MedKoo Cat#: 581655

Name: Debutyldronedarone

CAS#: 141626-35-9

Chemical Formula: C27H36N2O5S

Exact Mass: 500.2345

Molecular Weight: 500.65

Elemental Analysis: C, 64.77; H, 7.25; N, 5.60; O, 15.98; S, 6.40

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Synonym
Debutyldronedarone; Desbutyl Dronedarone Hydrochloride; N-Debutyl-dronedarone; SR 35021; SR35021; SR-35021;
IUPAC/Chemical Name
Methanesulfonamide, N-(2-butyl-3-(4-(3-(butylamino)propoxy)benzoyl)-5-benzofuranyl)-
InChi Key
IJVZZGIAELTWBB-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H36N2O5S/c1-4-6-9-25-26(23-19-21(29-35(3,31)32)12-15-24(23)34-25)27(30)20-10-13-22(14-11-20)33-18-8-17-28-16-7-5-2/h10-15,19,28-29H,4-9,16-18H2,1-3H3
SMILES Code
CS(=O)(NC1=CC=C(OC(CCCC)=C2C(C3=CC=C(OCCCNCCCC)C=C3)=O)C2=C1)=O
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 500.65 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.

Recalculate based on batch purity %
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: Santos M, García LC, Checura C, Donadío LG, Fernandez C, Orgueira H, Comin MJ. Synthesis and characterization of new related substances of the antiarrhythmic drug dronedarone hydrochloride. J Pharm Biomed Anal. 2015 Oct 10;114:441-6. doi: 10.1016/j.jpba.2015.06.026. Epub 2015 Jun 22. PubMed PMID: 26133102. 2: van Beeren HC, Kwakkel J, Ackermans MT, Wiersinga WM, Fliers E, Boelen A. Action of specific thyroid hormone receptor α(1) and β(1) antagonists in the central and peripheral regulation of thyroid hormone metabolism in the rat. Thyroid. 2012 Dec;22(12):1275-82. doi: 10.1089/thy.2012.0135. PubMed PMID: 22985455. 3: Xie C, Yang S, Zhong D, Dai X, Chen X. Simultaneous determination of dronedarone and its active metabolite debutyldronedarone in human plasma by liquid chromatography-tandem mass spectrometry: application to a pharmacokinetic study. J Chromatogr B Analyt Technol Biomed Life Sci. 2011 Oct 15;879(28):3071-5. doi: 10.1016/j.jchromb.2011.09.004. Epub 2011 Sep 9. PubMed PMID: 21937291. 4: Bolderman RW, Hermans JJ, Maessen JG. Determination of the class III antiarrhythmic drugs dronedarone and amiodarone, and their principal metabolites in plasma and myocardium by high-performance liquid chromatography and UV-detection. J Chromatogr B Analyt Technol Biomed Life Sci. 2009 Jun 15;877(18-19):1727-31. doi: 10.1016/j.jchromb.2009.04.029. Epub 2009 Apr 24. PubMed PMID: 19427276. 5: Van Beeren HC, Jong WM, Kaptein E, Visser TJ, Bakker O, Wiersinga WM. Dronerarone acts as a selective inhibitor of 3,5,3'-triiodothyronine binding to thyroid hormone receptor-alpha1: in vitro and in vivo evidence. Endocrinology. 2003 Feb;144(2):552-8. PubMed PMID: 12538616.