(+)-Benalaxyl | CAS#97716-85-3 | fungicide

MedKoo Cat#: 596794 | Name: (+)-Benalaxyl

Featured

Description:

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

(+)-Benalaxyl is a fungicide.

Chemical Structure

(+)-Benalaxyl

CAS#97716-85-3 (S isomer)

Theoretical Analysis

MedKoo Cat#: 596794

Name: (+)-Benalaxyl

CAS#: 97716-85-3 (S isomer)

Chemical Formula: C20H23NO3

Exact Mass: 325.1678

Molecular Weight: 325.40

Elemental Analysis: C, 73.82; H, 7.12; N, 4.30; O, 14.75

Price and Availability

Size	Price	Availability	Quantity
250mg	USD 450.00	2 Weeks

Bulk Inquiry

Buy Now

Add to Cart

Related CAS #

71626-11-4 97716-85-3 (S isomer)

Synonym

Benalaxyl, (+)-; (+)-Benalaxyl;

IUPAC/Chemical Name

methyl N-(2,6-dimethylphenyl)-N-(2-phenylacetyl)-L-alaninate

InChi Key

CJPQIRJHIZUAQP-INIZCTEOSA-N

InChi Code

InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3/t16-/m0/s1

SMILES Code

C[C@@H](C(OC)=O)N(C1=C(C)C=CC=C1C)C(CC2=CC=CC=C2)=O

Appearance

Solid powder

Purity

>95% (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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 325.40 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: Wang X, Wang D, Zhou Z, Zhu W. Subacute oral toxicity assessment of benalaxyl in mice based on metabolomics methods. Chemosphere. 2018 Jan;191:373-380. doi: 10.1016/j.chemosphere.2017.10.085. Epub 2017 Oct 15. PubMed PMID: 29054078. 2: Celeiro M, Facorro R, Dagnac T, Vilar VJP, Llompart M. Photodegradation of multiclass fungicides in the aquatic environment and determination by liquid chromatography-tandem mass spectrometry. Environ Sci Pollut Res Int. 2017 Aug;24(23):19181-19193. doi: 10.1007/s11356-017-9487-2. Epub 2017 Jun 29. PubMed PMID: 28664491. 3: Yin J, Zhu F, Hao W, Xu Q, Chang J, Wang H, Guo B. Acylamino acid chiral fungicides on toxiciepigenetics in lambda DNA methylation. Food Chem Toxicol. 2017 Nov;109(Pt 1):735-745. doi: 10.1016/j.fct.2017.04.038. Epub 2017 Apr 26. PubMed PMID: 28456568. 4: Jing X, Yao G, Liu D, Liang Y, Luo M, Zhou Z, Wang P. Effects of wastewater irrigation and sewage sludge application on soil residues of chiral fungicide benalaxyl. Environ Pollut. 2017 May;224:1-6. doi: 10.1016/j.envpol.2017.03.004. Epub 2017 Mar 10. PubMed PMID: 28288350. 5: Nallani GC, ElNaggar SF, Shen L, Chandrasekaran A. In vitro metabolism of [(14)C]-benalaxyl in hepatocytes of rats, dogs and humans. Regul Toxicol Pharmacol. 2017 Mar;84:26-34. doi: 10.1016/j.yrtph.2016.12.006. Epub 2016 Dec 18. PubMed PMID: 27993653. 6: Wang X, Zhu W, Qiu J, Wang D, Zhou Z. Enantioselective metabolism and enantiomerization of benalaxyl in mice. Chemosphere. 2017 Feb;169:308-315. doi: 10.1016/j.chemosphere.2016.11.091. Epub 2016 Nov 22. PubMed PMID: 27886532. 7: Tuzimski T, Rejczak T, Pieniążek D, Buszewicz G, Teresiński G. Comparison of SPE/d-SPE and QuEChERS-Based Extraction Procedures in Terms of Fungicide Residue Analysis in Wine Samples by HPLC-DAD and LC-QqQ-MS. J AOAC Int. 2016 Nov 1;99(6):1436-1443. doi: 10.5740/jaoacint.16-0277. Epub 2016 Sep 14. PubMed PMID: 27634101. 8: Lu Y, Shao Y, Dai S, Diao J, Chen X. Stereoselective Behavior of the Fungicide Benalaxyl During Grape Growth and the Wine-Making Process. Chirality. 2016 May;28(5):394-8. doi: 10.1002/chir.22589. Epub 2016 Mar 2. PubMed PMID: 26934695. 9: Wang X, Wang D, Wang Y, Zhang P, Zhou Z, Zhu W. A combined non-targeted and targeted metabolomics approach to study the stereoselective metabolism of benalaxyl enantiomers in mouse hepatic microsomes. Environ Pollut. 2016 May;212:358-365. doi: 10.1016/j.envpol.2016.01.081. Epub 2016 Feb 10. PubMed PMID: 26874317. 10: Liu M, Liu D, Xu Y, Jing X, Zhou Z, Wang P. Fate and stereoselective behavior of benalaxyl in a water-sediment microcosm. J Agric Food Chem. 2015 Jun 3;63(21):5205-11. doi: 10.1021/acs.jafc.5b01448. Epub 2015 May 26. PubMed PMID: 26009811. 11: Chu SP, Tseng WC, Kong PH, Huang CK, Chen JH, Chen PS, Huang SD. Up-and-down-shaker-assisted dispersive liquid-liquid microextraction coupled with gas chromatography-mass spectrometry for the determination of fungicides in wine. Food Chem. 2015 Oct 15;185:377-82. doi: 10.1016/j.foodchem.2015.04.015. Epub 2015 Apr 11. PubMed PMID: 25952882. 12: Oliveira FA, Reis LP, Soto-Blanco B, Melo MM. Pesticides residues in the Prochilodus costatus (Valenciennes, 1850) fish caught in the São Francisco River, Brazil. J Environ Sci Health B. 2015;50(6):398-405. doi: 10.1080/03601234.2015.1011946. PubMed PMID: 25844860. 13: Andrade GC, Monteiro SH, Francisco JG, Figueiredo LA, Botelho RG, Tornisielo VL. Liquid chromatography-electrospray ionization tandem mass spectrometry and dynamic multiple reaction monitoring method for determining multiple pesticide residues in tomato. Food Chem. 2015 May 15;175:57-65. doi: 10.1016/j.foodchem.2014.11.105. Epub 2014 Nov 25. PubMed PMID: 25577051. 14: Vavrinevych OP, Omel'chuk ST, Bardov VH. [Comparative hygienic assessment of potential risk to workers under application of fungicides of different classes]. Lik Sprava. 2014 Mar-Apr;(3-4):130-8. Ukrainian. PubMed PMID: 25286613. 15: Tseng WC, Chu SP, Kong PH, Huang CK, Chen JH, Chen PS, Huang SD. Water with low concentration of surfactant in dispersed solvent-assisted emulsion dispersive liquid-liquid microextraction for the determination of fungicides in wine. J Agric Food Chem. 2014 Sep 17;62(37):9059-65. doi: 10.1021/jf5036096. Epub 2014 Sep 2. PubMed PMID: 25152072. 16: Qin F, Gao YX, Guo BY, Xu P, Li JZ, Wang HL. Environmental behavior of benalaxyl and furalaxyl enantiomers in agricultural soils. J Environ Sci Health B. 2014;49(10):738-46. doi: 10.1080/03601234.2014.929482. PubMed PMID: 25065825. 17: Dedola F, Cabizza M, Satta M. Determination of 28 pesticides applied on two tomato cultivars with a different surface/weight ratio of the berries, using a multiresidue GC-MS/MS method. J Environ Sci Health B. 2014;49(9):671-8. doi: 10.1080/03601234.2014.922775. PubMed PMID: 25035916. 18: Celeiro M, Llompart M, Lamas JP, Lores M, Garcia-Jares C, Dagnac T. Determination of fungicides in white grape bagasse by pressurized liquid extraction and gas chromatography tandem mass spectrometry. J Chromatogr A. 2014 May 23;1343:18-25. doi: 10.1016/j.chroma.2014.03.057. Epub 2014 Mar 28. PubMed PMID: 24746069. 19: Wang Y, Guo B, Gao Y, Xu P, Zhang Y, Li J, Wang H. Stereoselective degradation and toxic effects of benalaxyl on blood and liver of the Chinese lizard Eremias argus. Pestic Biochem Physiol. 2014 Jan;108:34-41. doi: 10.1016/j.pestbp.2013.11.004. Epub 2013 Dec 4. PubMed PMID: 24485313. 20: Gao Y, Chen J, Wang H, Liu C, Lv X, Li J, Guo B. Enantiomerization and enantioselective bioaccumulation of benalaxyl in Tenebrio molitor larvae from wheat bran. J Agric Food Chem. 2013 Sep 25;61(38):9045-51. doi: 10.1021/jf4020125. Epub 2013 Sep 13. PubMed PMID: 24000806.