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MedKoo Cat#: 571230 | Name: Flocoumafen

Description:

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

Flocoumafen, also known as WL 108366, is an anticoagulant rodenticide.

Chemical Structure

Flocoumafen
Flocoumafen
CAS#90035-08-8

Theoretical Analysis

MedKoo Cat#: 571230

Name: Flocoumafen

CAS#: 90035-08-8

Chemical Formula: C33H25F3O4

Exact Mass: 542.1705

Molecular Weight: 542.55

Elemental Analysis: C, 73.06; H, 4.64; F, 10.50; O, 11.80

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
Flocoumafen; WL 108366; WL-108366; WL108366;
IUPAC/Chemical Name
2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-3-(4-((4-(trifluoromethyl)phenyl)methoxy)phenyl)-1-naphthalenyl)-
InChi Key
KKBGNYHHEIAGOH-UHFFFAOYSA-N
InChi Code
InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2
SMILES Code
O=C1C(C2CC(C3=CC=C(OCC4=CC=C(C(F)(F)F)C=C4)C=C3)CC5=C2C=CC=C5)=C(O)C6=CC=CC=C6O1
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
>2 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 542.55 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: Boettcher S, Wacker A, Moerike K, Kopp HG, Jaschonek K, Grobosch T, Kanz L, Salih HR. Acquired coagulopathy caused by intoxication with the superwarfarin-type anticoagulant rodenticide flocoumafen. Eur J Haematol. 2011 Feb;86(2):173-5. doi: 10.1111/j.1600-0609.2010.01550.x. Epub 2010 Dec 29. PubMed PMID: 21059104. 2: Jung JC, Lim E, Lee Y, Min D, Ricci J, Park OS, Jung M. Total synthesis of flocoumafen via knoevenagel condensation and intramolecular ring cyclization: general access to natural products. Molecules. 2012 Feb 21;17(2):2091-102. doi: 10.3390/molecules17022091. PubMed PMID: 22354187. 3: Jin MC, OuYang XK, Chen XH. High-performance liquid chromatography coupled with electrospray ionization tandem mass spectrometry for the determination of flocoumafen and brodifacoum in whole blood. J Appl Toxicol. 2007 Jan-Feb;27(1):18-24. PubMed PMID: 17177169. 4: Huckle KR, Hutson DH, Warburton PA. Elimination and accumulation of the rodenticide flocoumafen in rats following repeated oral administration. Xenobiotica. 1988 Dec;18(12):1465-79. PubMed PMID: 3245237. 5: Rowe FP, Bradfield A, Swinney T. Pen and field trials of a new anticoagulant rodenticide flocoumafen against the house mouse (Mus musculus L.). J Hyg (Lond). 1985 Dec;95(3):623-7. PubMed PMID: 3841547; PubMed Central PMCID: PMC2129559. 6: Huckle KR, Morrison BJ, Warburton PA. The percutaneous fate of the rodenticide flocoumafen in the rat: role of non-biliary intestinal excretion. Xenobiotica. 1989 Jan;19(1):63-74. PubMed PMID: 2756718. 7: Huckle KR, Warburton PA, Forbes S, Logan CJ. Studies on the fate of flocoumafen in the Japanese quail (Coturnix coturnix japonica). Xenobiotica. 1989 Jan;19(1):51-62. PubMed PMID: 2756717. 8: Buckle AP. Field trials of flocoumafen against warfarin-resistant infestations of the Norway rat (Rattus norvegicus Berk.). J Hyg (Lond). 1986 Jun;96(3):467-73. PubMed PMID: 3755451; PubMed Central PMCID: PMC2129682. 9: Parshad VR, Chopra G. The susceptibility of Rattus rattus and Bandicota bengalensis to a new anticoagulant rodenticide, flocoumafen. J Hyg (Lond). 1986 Jun;96(3):475-8. PubMed PMID: 3755452; PubMed Central PMCID: PMC2129702. 10: Veenstra GE, Owen DE, Huckle KR. Metabolic and toxicological studies on the anticoagulant rodenticide, flocoumafen. Arch Toxicol Suppl. 1991;14:160-5. PubMed PMID: 1805726. 11: Gómez-Canela C, Barata C, Lacorte S. Occurrence, elimination, and risk of anticoagulant rodenticides and drugs during wastewater treatment. Environ Sci Pollut Res Int. 2014;21(11):7194-203. doi: 10.1007/s11356-014-2714-1. Epub 2014 Mar 14. PubMed PMID: 24622989. 12: López-Perea JJ, Camarero PR, Molina-López RA, Parpal L, Obón E, Solá J, Mateo R. Interspecific and geographical differences in anticoagulant rodenticide residues of predatory wildlife from the Mediterranean region of Spain. Sci Total Environ. 2015 Apr 1;511:259-67. doi: 10.1016/j.scitotenv.2014.12.042. Epub 2014 Dec 26. PubMed PMID: 25546464. 13: Gómez-Canela C, Lacorte S. Comprehensive characterization of anticoagulant rodenticides in sludge by liquid chromatography-tandem mass spectrometry. Environ Sci Pollut Res Int. 2016 Aug;23(15):15739-48. doi: 10.1007/s11356-016-6743-9. Epub 2016 May 4. PubMed PMID: 27146526. 14: Jung JC, Moon HI. Larvicidal activity of 4-hydroxycoumarin derivatives against Aedes aegypti. Pharm Biol. 2011 Feb;49(2):190-3. doi: 10.3109/13880209.2010.507769. Epub 2010 Nov 3. Retraction in: Pharm Biol. 2012 Sep;50(9):1199. PubMed PMID: 21043993. 15: Maršálek P, Modrá H, Doubková V, Večerek V. Simultaneous determination of ten anticoagulant rodenticides in tissues by column-switching UHPLC-ESI-MS/MS. Anal Bioanal Chem. 2015 Oct;407(25):7849-54. doi: 10.1007/s00216-015-8954-1. Epub 2015 Aug 18. PubMed PMID: 26280206. 16: Bidny S, Gago K, David M, Duong T, Albertyn D, Gunja N. A validated LC-MS-MS method for simultaneous identification and quantitation of rodenticides in blood. J Anal Toxicol. 2015 Apr;39(3):219-24. doi: 10.1093/jat/bku175. Epub 2015 Jan 16. PubMed PMID: 25595137. 17: Langford KH, Reid M, Thomas KV. The occurrence of second generation anticoagulant rodenticides in non-target raptor species in Norway. Sci Total Environ. 2013 Apr 15;450-451:205-8. doi: 10.1016/j.scitotenv.2013.01.100. Epub 2013 Mar 8. PubMed PMID: 23500818. 18: Jin MC, Chen XH. Rapid determination of three anticoagulant rodenticides in whole blood by liquid chromatography coupled with electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2006;20(18):2741-6. PubMed PMID: 16921552. 19: Muscarella M, Armentano A, Iammarino M, Palermo C, Amorena M. Anticoagulant rodenticide poisoning in animals of Apulia and Basilicata, Italy. Vet Ital. 2016 Jun 30;52(2):153-9. doi: 10.12834/VetIt.118.333.3. PubMed PMID: 27393877. 20: Esther A, Endepols S, Freise J, Klemann N, Runge M, Pelz HJ. [Rodenticide resistance and consequences]. Bundesgesundheitsblatt Gesundheitsforschung Gesundheitsschutz. 2014 May;57(5):519-23. doi: 10.1007/s00103-013-1930-z. German. PubMed PMID: 24781908.