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MedKoo Cat#: 540193 | Name: Hexaconazole
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Description:

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

Hexaconazole is a pesticide and demethylation inhibitor that prevents sterol synthesis and disrupts membrane function. It also induces production of apigenin-7-glucoside and other antioxidative compounds and inhibits growth of nitrogen-fixing bacteria.

Chemical Structure

Hexaconazole
Hexaconazole
CAS#79983-71-4

Theoretical Analysis

MedKoo Cat#: 540193

Name: Hexaconazole

CAS#: 79983-71-4

Chemical Formula: C14H17Cl2N3O

Exact Mass: 313.0749

Molecular Weight: 314.21

Elemental Analysis: C, 53.52; H, 5.45; Cl, 22.56; N, 13.37; O, 5.09

Price and Availability

Size Price Availability Quantity
100mg USD 250.00 2 Weeks
500mg USD 550.00 2 Weeks
1g USD 850.00 2 Weeks
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Related CAS #
No Data
Synonym
Hexaconazole; Anvil L; Chlortriafol; Sitara; PP 523; PP523; PP-523;
IUPAC/Chemical Name
2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol
InChi Key
STMIIPIFODONDC-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3
SMILES Code
CCCCC(O)(C1=CC=C(Cl)C=C1Cl)CN2N=CN=C2
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 314.21 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: Maznah Z, Halimah M, Ismail S, Idris AS. Dissipation of the fungicide hexaconazole in oil palm plantation. Environ Sci Pollut Res Int. 2015 Dec;22(24):19648-57. doi: 10.1007/s11356-015-5178-z. Epub 2015 Aug 15. PubMed PMID: 26276276. 2: Wang Y, Zhu W, Qiu J, Wang X, Zhang P, Yan J, Zhou Z. Monitoring tryptophan metabolism after exposure to hexaconazole and the enantioselective metabolism of hexaconazole in rat hepatocytes in vitro. J Hazard Mater. 2015 Sep 15;295:9-16. doi: 10.1016/j.jhazmat.2015.04.006. Epub 2015 Apr 3. PubMed PMID: 25863579. 3: Han J, Jiang J, Su H, Sun M, Wang P, Liu D, Zhou Z. Bioactivity, toxicity and dissipation of hexaconazole enantiomers. Chemosphere. 2013 Nov;93(10):2523-7. PubMed PMID: 24206830. 4: Shen Z, Liu D, Wang P, Zhang P, Wang X, Zhou Z. Gender-related in vitro metabolism of hexaconazole and its enantiomers in rats. Chirality. 2013 Dec;25(12):852-7. doi: 10.1002/chir.22225. Epub 2013 Sep 12. PubMed PMID: 24027055. 5: Wang Y, Liu C, Gao J, Wang C, Cui L, Li A. Dissipation behavior of hexaconazole and kresoxim-methyl residues in ginseng and soil under field conditions. Environ Monit Assess. 2015 Jan;187(1):4126. doi: 10.1007/s10661-014-4126-6. Epub 2014 Dec 2. PubMed PMID: 25446716. 6: Liang H, Li L, Li W, Wu Y, Liu F. The decline and residues of hexaconazole in tomato and soil. Environ Monit Assess. 2012 Mar;184(3):1573-9. doi: 10.1007/s10661-011-2061-3. Epub 2011 Apr 28. PubMed PMID: 21533586. 7: Muhamad H, Zainol M, Sahid I, Abu Seman I. Determination of hexaconazole in field samples of an oil palm plantation. Drug Test Anal. 2012 Aug;4 Suppl 1:112-7. doi: 10.1002/dta.1351. PubMed PMID: 22851367. 8: Huang L, Lu D, Zhang P, Diao J, Zhou Z. Enantioselective toxic effects of hexaconazole enantiomers against Scenedesmus obliquus. Chirality. 2012 Aug;24(8):610-4. doi: 10.1002/chir.22018. Epub 2012 Jun 24. PubMed PMID: 22730115. 9: Zhao JH, Lai SH, Ruan LL, Cheng JL, Tan CX, Zhu GN. Structure, bioactivity and implications for environmental remediation of complexes comprising the fungicide hexaconazole bound to copper. Pest Manag Sci. 2014 Feb;70(2):228-33. doi: 10.1002/ps.3536. Epub 2013 Jun 18. PubMed PMID: 23512545. 10: Zhang P, Dang Z, Shen Z, Zhu W, Xu X, Liu D, Zhou Z. Enantioselective degradation of hexaconazole in rat hepatic microsomes in vitro. Chirality. 2012 Apr;24(4):283-8. doi: 10.1002/chir.21993. Epub 2012 Jan 25. PubMed PMID: 22278909. 11: Dubey P, Mishra AK, Singh AK. Comparative analyses of genotoxicity, oxidative stress and antioxidative defence system under exposure of methyl parathion and hexaconazole in barley (Hordeum vulgare L.). Environ Sci Pollut Res Int. 2015 Dec;22(24):19848-59. doi: 10.1007/s11356-015-5216-x. Epub 2015 Aug 20. PubMed PMID: 26286802. 12: Wang Y, Xu L, Li D, Teng M, Zhang R, Zhou Z, Zhu W. Enantioselective bioaccumulation of hexaconazole and its toxic effects in adult zebrafish (Danio rerio). Chemosphere. 2015 Nov;138:798-805. doi: 10.1016/j.chemosphere.2015.08.015. Epub 2015 Aug 18. PubMed PMID: 26291761. 13: Li Y, Dong F, Liu X, Xu J, Chen X, Han Y, Liang X, Zheng Y. Studies of enantiomeric degradation of the triazole fungicide hexaconazole in tomato, cucumber, and field soil by chiral liquid chromatography-tandem mass spectrometry. Chirality. 2013 Mar;25(3):160-9. doi: 10.1002/chir.22121. Epub 2013 Jan 18. PubMed PMID: 23335346. 14: Li J, Sun C, Yu N, Wang C, Zhang T, Bu H. Hexaconazole-Cu complex improves the salt tolerance of Triticum aestivum seedlings. Pestic Biochem Physiol. 2016 Feb;127:90-4. doi: 10.1016/j.pestbp.2015.09.012. Epub 2015 Sep 28. PubMed PMID: 26821663. 15: Yu L, Chen M, Liu Y, Gui W, Zhu G. Thyroid endocrine disruption in zebrafish larvae following exposure to hexaconazole and tebuconazole. Aquat Toxicol. 2013 Aug 15;138-139:35-42. doi: 10.1016/j.aquatox.2013.04.001. Epub 2013 Apr 18. PubMed PMID: 23685399. 16: Wang X, Zhang H, Xu H, Wang X, Wu C, Yang H, Li Z, Wang Q. Enantioselective residue dissipation of hexaconazole in cucumber (Cucumis sativus L.), head cabbage (Brassica oleracea L. var. caulorapa DC.), and soils. J Agric Food Chem. 2012 Mar 7;60(9):2212-8. doi: 10.1021/jf204523t. Epub 2012 Feb 21. PubMed PMID: 22309697. 17: Wang QX, Qiu J, Wang P, Jia GF, Wang P, Li JL, Zhou ZQ. Stereoselective kinetic study of hexaconazole enantiomers in the rabbit. Chirality. 2005 May 5;17(4):186-92. PubMed PMID: 15825196. 18: Zhang Q, Zhou L, Yang Y, Hua X, Shi H, Wang M. Study on the stereoselective degradation of three triazole fungicides in sediment. Ecotoxicol Environ Saf. 2015 Jul;117:1-6. doi: 10.1016/j.ecoenv.2015.03.014. Epub 2015 Mar 24. PubMed PMID: 25814463. 19: Theunissen PT, Robinson JF, Pennings JL, de Jong E, Claessen SM, Kleinjans JC, Piersma AH. Transcriptomic concentration-response evaluation of valproic acid, cyproconazole, and hexaconazole in the neural embryonic stem cell test (ESTn). Toxicol Sci. 2012 Feb;125(2):430-8. doi: 10.1093/toxsci/kfr293. Epub 2011 Nov 1. PubMed PMID: 22045034. 20: Hojati M, Modarres-Sanavy SA, Ghanati F, Panahi M. Hexaconazole induces antioxidant protection and apigenin-7-glucoside accumulation in Matricaria chamomilla plants subjected to drought stress. J Plant Physiol. 2011 May 15;168(8):782-91. doi: 10.1016/j.jplph.2010.11.009. Epub 2011 Jan 3. PubMed PMID: 21208683.

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