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MedKoo Cat#: 599199 | Name: Semduramicin sodium

Description:

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

Semduramicin sodium is a carboxylic acid ionophore for management of chicken coccidiosis.

Chemical Structure

Semduramicin sodium
CAS#119068-77-8 (sodium)

Theoretical Analysis

MedKoo Cat#: 599199

Name: Semduramicin sodium

CAS#: 119068-77-8 (sodium)

Chemical Formula: C45H75NaO16

Exact Mass: 894.4953

Molecular Weight: 895.06

Elemental Analysis: C, 60.39; H, 8.45; Na, 2.57; 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.
Bulk Inquiry
Related CAS #
119068-77-8 (sodium) 113378-31-7 (free acid)
Synonym
Semduramicin sodium; UK-61689-2; UK61689-2; UK 61689-2; UK-61,689-2; UK 61,689-2; UK61,689-2;
IUPAC/Chemical Name
sodium 2-((2R,3S,4S,5R,6S)-2,4-dihydroxy-6-((R)-1-((2S,5R,7S,8R,9S)-9-hydroxy-2-((2S,2'R,3'S,5R,5'R)-5'-((2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyltetrahydro-2H-pyran-2-yl)-3'-(((2S,5S,6R)-5-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-methyloctahydro-[2,2'-bifuran]-5-yl)-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl)ethyl)-5-methoxy-3-methyltetrahydro-2H-pyran-2-yl)acetate
InChi Key
JXRFTGPGWGUBQB-LHOUOPCDSA-M
InChi Code
InChI=1S/C45H76O16.Na/c1-22-18-23(2)43(9,50)58-36(22)30-19-31(55-34-13-12-29(52-10)27(6)54-34)40(56-30)42(8)15-14-32(57-42)41(7)16-17-44(61-41)20-28(46)24(3)37(59-44)25(4)38-39(53-11)35(49)26(5)45(51,60-38)21-33(47)48;/h22-32,34-40,46,49-51H,12-21H2,1-11H3,(H,47,48);/q;+1/p-1/t22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44+,45+;/m0./s1
SMILES Code
CO[C@H]1CC[C@@H](O[C@@H]1C)O[C@H]2C[C@H]([C@H]3O[C@](O)([C@@H](C[C@@H]3C)C)C)O[C@H]2[C@@]4(CC[C@H]([C@@]5(CC[C@@]6(O5)C[C@@H]([C@H]([C@@H]([C@H]([C@@H]7O[C@](CC([O-])=O)([C@H]([C@@H]([C@H]7OC)O)C)O)C)O6)C)O)C)O4)C.[Na+]
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 895.06 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: Ericson JF, Calcagni A, Lynch MJ. Determination of semduramicin sodium in poultry liver by liquid chromatography with vanillin postcolumn derivatization. J AOAC Int. 1994 May-Jun;77(3):577-82. PubMed PMID: 8012203. 2: Pesti GM, Cervantes H, Bakalli RI, Bafundo KW, Garcia MN. Studies on semduramicin and nutritional responses: 3. Electrolyte balance. Poult Sci. 1999 Nov;78(11):1552-60. PubMed PMID: 10560828. 3: Vincent U, Ezerskis Z, Chedin M, von Holst C. Determination of ionophore coccidiostats in feeding stuffs by liquid chromatography-tandem mass spectrometry. Part II. Application to cross-contamination levels and non-targeted feed. J Pharm Biomed Anal. 2011 Feb 20;54(3):526-34. doi: 10.1016/j.jpba.2010.09.038. Epub 2010 Oct 8. PubMed PMID: 21041054. 4: Rokka M, Jestoi M, Peltonen K. Trace level determination of polyether ionophores in feed. Biomed Res Int. 2013;2013:151363. doi: 10.1155/2013/151363. Epub 2012 Dec 4. PubMed PMID: 23484082; PubMed Central PMCID: PMC3591113. 5: Clarke L, Moloney M, O'Mahony J, O'Kennedy R, Danaher M. Determination of 20 coccidiostats in milk, duck muscle and non-avian muscle tissue using UHPLC-MS/MS. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2013;30(6):958-69. doi: 10.1080/19440049.2013.794306. Epub 2013 Jun 3. PubMed PMID: 23731083. 6: Pereira MU, Spisso BF, Jacob Sdo C, Monteiro MA, Ferreira RG, Carlos Bde S, da Nóbrega AW. Validation of a liquid chromatography-electrospray ionization tandem mass spectrometric method to determine six polyether ionophores in raw, UHT, pasteurized and powdered milk. Food Chem. 2016 Apr 1;196:130-7. doi: 10.1016/j.foodchem.2015.09.011. Epub 2015 Sep 8. PubMed PMID: 26593474. 7: Delahaut P, Pierret G, Ralet N, Dubois M, Gillard N. Multi-residue method for detecting coccidiostats at carry-over level in feed by HPLC-MS/MS. Food Addit Contam Part A Chem Anal Control Expo Risk Assess. 2010 Jun;27(6):801-9. doi: 10.1080/19440040903552408. PubMed PMID: 20198524. 8: Dorne JL, Fernández-Cruz ML, Bertelsen U, Renshaw DW, Peltonen K, Anadon A, Feil A, Sanders P, Wester P, Fink-Gremmels J. Risk assessment of coccidostatics during feed cross-contamination: animal and human health aspects. Toxicol Appl Pharmacol. 2013 Aug 1;270(3):196-208. doi: 10.1016/j.taap.2010.12.014. Epub 2011 Jan 6. Review. PubMed PMID: 21215766. 9: Glazer EA, Koss DA, Olson JA, Ricketts AP, Schaaf TK, Wiscount RJ Jr. Synthetic modification of a novel microbial ionophore: exploration of anticoccidial structure-activity relationships. J Med Chem. 1992 May 15;35(10):1839-44. PubMed PMID: 1588562. 10: Cronly M, Behan P, Foley B, Malone E, Shearan P, Regan L. Determination of eleven coccidiostats in animal feed by liquid chromatography-tandem mass spectrometry at cross contamination levels. Anal Chim Acta. 2011 Aug 26;700(1-2):26-33. doi: 10.1016/j.aca.2010.11.001. Epub 2010 Nov 9. PubMed PMID: 21742113. 11: Dubreil-Chéneau E, Bessiral M, Roudaut B, Verdon E, Sanders P. Validation of a multi-residue liquid chromatography-tandem mass spectrometry confirmatory method for 10 anticoccidials in eggs according to Commission Decision 2002/657/EC. J Chromatogr A. 2009 Nov 13;1216(46):8149-57. doi: 10.1016/j.chroma.2009.04.048. Epub 2009 Apr 21. PubMed PMID: 19442981.