Neuroscience ; methodology, P.C. 9: Kuziej J, Litinas E, Hoppensteadt DA, Liu D, Walenga JM, Fareed J, Jeske W. In vivo neutralization of unfractionated heparin and low-molecular-weight heparin by a novel salicylamide derivative. [3] Derivatives of salicylanilide have a variety of pharmacological uses. We do not sell to patients. ; Parker, S.F. [, Harten, P. Finding greener solvent mixtures to replace those used in manufacturing processes -Paris III. Searching for green solvents. [44][45], In 1979, salicylates were found to be involved in induced defenses of tobacco against tobacco mosaic virus. Boucher, D.S. Verheijen, M.; Lienhard, M.; Schrooders, Y.; Clayton, O.; Nudischer, R.; Boerno, S.; Timmermann, B.; Selevsek, N.; Schlapbach, R.; Gmuender, H.; et al. ; Grossman, A.J. PubMed PMID: 26898408. Epub 2010 May 11. All products from TargetMol are for Research Use Only. Changzhou Sunlight Pharmaceutical Co., Ltd. Zhenjiang Gaopeng Pharmaceutical Co.,Ltd. Martin, V.; Jadhav, S.; Egelund, P.H.G. Exact Mass: 179.0946 Molecular Weight: 179.21 Elemental Analysis: C, 67.02; H, 7.31; N, 7.82; O, 17.85 Price and Availability 18: Taira Z, Yabe K, Hamaguchi Y, Hirayama K, Kishimoto M, Ishida S, Ueda Y. Chaves, J.O. For For most aqueous binary mixtures, a significant decrease in solubility with a decrease in the organic fraction is observed, indicating that all systems can be regarded as efficient solvent-anti-solvent pairs. Salicylic acid signaling in disease resistance. Stable. Enter 10 into the Concentration (start) box and select the correct unit (millimolar) Chem. molecular weight Derivatives of salicylamide include ethenzamide, labetalol, medroxalol, lopirin, otilonium, oxyclozanide, salicylanilide, niclosamide, and raclopride. WARNING: This product is for research use only, not for human or veterinary use. Acad. Remember Me
Exact Mass: 137.0477 Molecular Weight: 137.13 Elemental Analysis: C, 61.31; H, 5.15; N, 10.21; O, 23.33 Price and Availability Size Price Availability Quantity 25.0g Unfortunately, despite great efforts [, The aim of this study is threefold. Tong, Y.; Shi, F.; Wang, W.; Li, H.; Zhai, S.; Wang, K.; An, Q. PubMed PMID: 21724395. ; Manin, A.N. ; Blagodatskikh, I.V. Please note that many of the page functionalities won't work as expected without javascript enabled. Furthermore, solute-solvent affinities computed using advanced quantum chemistry level were used as a rationale for observed solvents ranking. 1960 to 1980 in conjunction with aspirin, acetaminophen, and caffeine. Rezaei, H.; Rahimpour, E.; Zhao, H.; Martinez, F.; Jouyban, A. Solubility measurement and thermodynamic modeling of caffeine in N-methyl-2-pyrrolidone + isopropanol mixtures at different temperatures. ; Warren, J.E. Rev. future research directions and describes possible research applications. Doolin, A.J. [15], Salicylic acid has long been a key starting material for making acetylsalicylic acid (aspirin). 2022. In the over-the-counter pain remedies, Salicylamide is used in combination with both aspirin and caffeine. It is used in combination with both aspirin and caffeine in the over-the-counter pain remedies such as BC Powder and PainAid. Pathogen inoculation did not produce the customarily high SA levels, SAR was not produced, and no PR genes were expressed in systemic leaves. ; Govender, P.P. ; Hickey, M.R. Epub 2011 Jun 12. Chromatogr., 341, 1985, 81-88. ass: Standard non-polar; Column length: 1.8 m; Column type: Packed; Heat rate: 8 K/min; Start T: 130 C; End T: 290 C; End time: 8 min; Start time: 2 min; CAS no: 65452; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb W; Data type: Linear RI; Authors: Perrigo, B.J. 2010 Aug;16(4):377-86. doi: 10.1177/1076029610366439. ; Hughes, S.; Kopach, M.E. There is little difference in the linear slope obtained for the three cooling rates, but there is a displacement such that a higher supersaturation . [38] A larger amount of the substance was isolated in 1829 by Henri Leroux, a French pharmacist. 5: Wein S, Cermak R, Wolffram S, Langguth P. Chronic quercetin feeding decreases plasma concentrations of salicylamide phase II metabolites in pigs following oral administration. Enter 10 into the Concentration box and select the correct unit (millimolar) Synonym: 0 - 4 C for short term (days to weeks), or -20 C for long term (months). [48] High-salicylate beverages and foods include beer, coffee, tea, numerous fruits and vegetables, sweet potato, nuts, and olive oil. ; Volkova, Y.A. DrugBank Accession Number. Chlorinated derivatives including niclosamide, oxyclozanide, and rafoxanide are used as anthelmintics, especially as flukicides. Enter C1, C2 & V2 to calculate V1. ; Lennie, A.R. ; Muranov, A.V. [47], Salicylic acid occurs in plants as free salicylic acid and its carboxylated esters and phenolic glycosides. ; et al. 14: Zarei AR, Afkhami A, Sarlak N. Simultaneous spectrophotometric determination of paracetamol and salicylamide in human serum and pharmaceutical formulations by a differential kinetic method. 2011 Sep;79(5):909-14. doi: 10.1016/j.saa.2011.03.047. PubMed PMID: 18547684. Enter 197.13 into the Molecular Weight (MW) box Theoretical characteristics of analyzed compounds started with conformational analysis for adequate representation of structural diversity. In Proceedings of the 3rd International Congress on Sustainability Science and Engineering, ICOSSE, Cincinnati, OH, USA, 1115 August 2013; pp. *When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online). The solubility-permeability interplay and its implications in formulation design and development for poorly soluble drugs. ; Coutinho, J.A.P. Prediction of sulfonamides solubilities in the mixed solvents using solvation parameters. ; Marrucho, I.M. ; validation, P.C. Study of the toluene absorption capacity and mechanism of ionic liquids using COSMO-RS prediction and experimental verification. Effectiveness of salicylamide as an analgesic and antirheumatic agent: Evaluation of the double blindfold technique for studying analgesic drugs. Salicylamide cocrystals: screening, crystal structure, sublimation thermodynamics, dissolution, and solid-state DFT calculations. ; Romero-Montalvo, E.; Sauza-De La Vega, A.; Quiroz-Garca, B.; Hernndez-Rodrguez, M.; Rocha-Rinza, T. Acidity and basicity interplay in amide and imide self-association. ; Olasunkanmi, L.O. antipyretic analgesic for fever, headache, neuralgia, arthralgia, active rheumatism and other diseases. [3][10][11], Similar to other hydroxy acids, salicylic acid is an ingredient in many skincare products for the treatment of seborrhoeic dermatitis, acne, psoriasis, calluses, corns, keratosis pilaris, acanthosis nigricans, ichthyosis, and warts. Dahan, A.; Miller, J.M. Neau, S.H. DSC thermograms were recorded using DSC 6000 Perkin Elmer (Waltham, MA, USA) calorimeter (heating rate: 5 K/min, nitrogen flow: 20 mL/min) calibrated using indium and zinc reference standards provided by the manufacturer. It has similar medicinal uses to aspirin. Shi, P.; Ma, Y.; Han, D.; Du, S.; Zhang, T.; Li, Z. Uncovering the solubility behavior of vitamin B6 hydrochloride in three aqueous binary solvents by thermodynamic analysis and molecular dynamic simulation. Wang, K.; Shang, Z.; Zhang, J.; Liu, Y.; Han, J.; Tang, W. Solubility Determination and Thermodynamic Correlation of 2-Ethoxybenzamide in 12 Pure Solvents from 288.15 to 328.15 K. Wilkes, J.B.; Manning, J.F. This is defined as 0.001 kilogram per mole, or 1 gram per mole. Hence, the percent yield was converting the initial mass of salicylamide into a molar value, and performing the appropriate molar conversion in order to determine the theoretical yield of iodosalicylamide. ; Datta, A.; Roy, S. Solubility and peculiar thermodynamical behaviour of 2-aminobenzoic acid in aqueous binary solvent mixtures at 288.15 to 308.15 K. Shakeel, F.; Haq, N.; Salem-Bekhit, M.M. Solid and Liquid Heat Capacities of n-Alkyl Para-aminobenzoates Near the Melting Point. positive feedback from the reviewers. Reinisch, J.; Klamt, A.; Eckert, F.; Diedenhofen, M. Prediction of the temperature dependence of a polyether-water mixture using COSMOtherm. Salicylamide is an over-the-counter drug with analgesic and antipyretic properties, which has similar medicinal properties to aspirin. In this study the COSMO-RS solubility predictions of benzamide, salicylamide, and ethenzamide were combined with green solvents selection strategy. Nain, A.K. [13][14], Salicylic acid is used in the production of other pharmaceuticals, including 4-aminosalicylic acid, sandulpiride, and landetimide (via salethamide). Stable. ; Mller, S.; Gonzlez de Castilla, A.; Gurikov, P.; Matias, A.A.; Bronze, M.D.R. and M.P. Name: Salicylamide Salicylic acid is biosynthesized from the amino acid phenylalanine. Predicting pKa for proteins using COSMO-RS. All available data were provided in the manuscript and. Med., 33, 1975, 185-191. umn class: Standard non-polar; Column length: 6 ft; Column type: Packed; CAS no: 65452; Active phase: OV-1; Carrier gas: N2; Substrate: Chromosorb G, AW-DMCS; Data type: Kovats RI; Authors: Berninger, H.; Grunnagel, R.; Mall, S.; Moller, M.R., Gas chromatographic identification of unknown substances from body fluids by menas of retention indices, Beitr. The answer of 19.713 mg appears in the Mass box. MedKoo Biosciences, Inc. All right reserved. Bryan, M.C. Li, W.; Farajtabar, A.; Xing, R.; Zhu, Y.; Zhao, H. Equilibrium solubility determination, solvent effect and preferential solvation of amoxicillin in aqueous co-solvent mixtures of N,N-dimethylformamide, isopropanol, N-methyl pyrrolidone and ethylene glycol. [21] It fluoresces in the blue at 420nm. [3], Other derivatives include methyl salicylate used as a liniment to soothe joint and muscle pain and choline salicylate used topically to relieve the pain of mouth ulcers. Weak Interactions Cause Packing Polymorphism in Pharmaceutical Two-Component Crystals. Besuretoaddthesolvent(s)inorder. ; Hizaddin, H.F.; Ali Hashim, M. Extraction of nitrogen compounds from model fuel using 1-ethyl-3-methylimidazolium methanesulfonate. [53], The volatile methyl ester of salicylic acid, methyl salicylate, can also diffuse through the air, facilitating plant-plant communication. Forgot Password? Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Enter the chemical formula of a compound to calculate its molar mass and elemental composition. ; Machado, A.P.D.F. Predictions of flavonoid solubility in ionic liquids by COSMO-RS: Experimental verification, structural elucidation, and solvation characterization. Department of Physical Chemistry, Pharmacy Faculty, Collegium Medicum of Bydgoszcz, Nicolaus Copernicus University in Toru, Kurpiskiego 5, 85-950 Bydgoszcz, Poland. Boling Point: 270C: Flash Point: 181C/14mm: Water Solubility: 0.1 g/100 mL at 20 C: . Quality confirmed by NMR & HPLC. and M.P. 2009 Feb;44(2):869-76. doi: 10.1016/j.ejmech.2008.04.020. No special All authors have read and agreed to the published version of the manuscript. 10: Pulgarn JA, Molina AA. Prediction of solubilities and partition coefficients in polymers using COSMO-RS. ; Coutinho, J.A.P. In the case of salicylamide dissolved in aqueous-4FM binary mixtures, a strong synergistic effect has been found leading to the highest solubility for 0.6 mole fraction of 4-FM. ; de Souza, M.C. ; Wang, P.Y. those of the individual author(s) and contributor(s) and not of MDPI and/or the editor(s). ; formal analysis, P.C. High-pressure polymorphism in salicylamide. ; Guo, H.R. Diedenhofen, M.; Eckert, F.; Klamt, A. ; Deleon, V.H. ; Perrigo, B., A practical gas chromatographic screening procedure for toxicological analysis, Can. . ; Rodriguez, R.G. Delgado, D.R. and M.P. 2002 Mar 4;56(3):557-64. You'll get a detailed solution from a subject matter expert that helps you learn core concepts. ; Albericio, F. Green solid-phase peptide synthesis 4. -Valerolactone and N-formylmorpholine as green solvents for solid phase peptide synthesis. J., 9(2), 1976, 69-74. ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 15 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 120 C; End T: 280 C; End time: 5 min; CAS no: 65452; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Perrigo, B.J. Chlorinated derivatives including niclosamide, oxyclozanide, and rafoxanide are used as anthelmintics, especially as flukicides. Klamt, A. (This article belongs to the Special Issue. Forensic Sci., 17(2), 1984, 41-49. ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 15 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 120 C; End T: 280 C; End time: 5 min; CAS no: 65452; Active phase: DB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Perrigo, B.J. InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10), Purity: Sadeghi, M.; Rasmuson, .C. Towards a first principles prediction of pKa: COSMO-RS and the cluster-continuum approach. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest. ; Jin, S.; Paggiola, G.; Petchey, T.H.M. Salicylamide [. 10: 3323. Shipping Condition: Program for Assisting the Replacement of Industrial Solvents (PARIS III). Prediction of partition coefficients using COSMO-RS: Solvent screening for maximum conversion in biocatalytic two-phase reaction systems. Med., 33, 1975, 185-191. umn class: Standard non-polar; Column length: 6 ft; Column type: Packed; Start T: 200 C; CAS no: 65452; Active phase: OV-101; Carrier gas: N2; Substrate: Chromosorb G AW DMCS (80-100 mesh); Data type: Kovats RI; Authors: Moller, M.R., Comparability of retention indices of polar substances at elevated temperatures, Chromatographia, 9(7), 1976, 311-314. umn class: Standard non-polar; Column type: Packed; Start T: 200 C; CAS no: 65452; Active phase: OV-1; Data type: Kovats RI; Authors: Berninger, H.; Moller, M.R., Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln, Arch. inhibit ; Perrigo, B., A practical gas chromatographic screening procedure for toxicological analysis, Can.Soc.Forens.Sci.J., 9(2), 1975, 69-74. ass: Standard non-polar; Column length: 6 ft; Column type: Packed; Heat rate: 8 K/min; Start T: 130 C; End T: 290 C; End time: 8 min; Start time: 2 min; CAS no: 65452; Active phase: SE-30; Carrier gas: Nitrogen; Substrate: Chromosorb W AW DMS (80-100 mesh); Data type: Normal alkane RI; Authors: Peel, H.W. CHEM21 selection guide of classical- and less classical-solvents. Molchanov, S.; Gryff-Keller, A. Solvation of Amides in DMSO and CDCl3: An Attempt at Quantitative DFT-Based Interpretation of 1H and 13C NMR Chemical Shifts. ; Eriksson, L.A.; Lopez, X. Resonance structures of the amide bond: The advantages of planarity. ; Peel, H.W., The use of retention indices and temperature-programmed gas chromatography in analytical toxicology, J. Chromatogr. Byrne, F.P. ; Raish, M. Solubility and dissolution thermodynamics of sinapic acid in (DMSO + water) binary solvent mixtures at different temperatures. Derivatives of salicylamide include ethenzamide, labetalol, . Computed by PubChem 2.1 (PubChem release 2021.05.07) Property Name. Bustamante, C.; Bustamante, P. Nonlinear enthalpy-entropy compensation for the solubility of phenacetin in dioxane-water solvent mixtures. Salmar, S.; Vaalma, M.; Vider, H.; Tenno, T.; Kuznetsov, A.; Jrv, J.; Tuulmets, A. For more information, please refer to Disclaimer/Publishers Note: The statements, opinions and data contained in all publications are solely Evaluation of COSMO-RS for the prediction of LLE and VLE of water and ionic liquids binary systems. [9] The name is from Latin salix for willow tree, from which it was initially identified and derived. Definitions of molecular mass, molecular weight, molar mass and molar weight: Eur J Pharm Sci. All chemicals applied in this study were purchased from commercial suppliers and used without purification. The following supporting information can be downloaded at: Conceptualization, P.C. ; Abou-Shehada, S.; Dunn, P.J. ; Chen, D.L. It is an ingredient in some anti-acne products. Treatment with salicylamides leads to the bacterial growth inhibition which correlates with the level of inhibition of sulfate reduction [1]. Theoretical yield of salicylamide: (weight) / (molar mass) = 1 g / 137.136 g = 0.0073 mol, 0.0073 mol x (product molar mass) = 0.0073 x 263.0325 g = 1.92 g, Percent yield of product: actual / theoretical = (2.198 g / 1.92 g) x 100 =, Product identified to be 1,3 - disubstituted =, *IR spectrum attached below along with product image, Within the salicylamide molecule, the -OH and -NH, groupsact as ortho and para directing activators, while there are no meta-directing. Its medicinal uses are similar to those of aspirin. Products are chemical reagents for research use only and are not intended for human use. Panayiotou, C. Redefining solubility parameters: The partial solvation parameters. Drug Formulation: C10H16N2O2 Incompatible with strong bases, strong oxidizing agents. Miller, M.B. PubMed PMID: 20460347. Design and Characterization of Sugar-Based Deep Eutectic Solvents Using Conductor-like Screening Model for Real Solvents. The drug salicylamide is an antagonist of the aryl hydrocarbon receptor that inhibits signal transduction induced by 2,3,7,8-tetrachlorodibenzo-p-dioxin. This mass was then divided with the actual yield and multiplied by one hundred to obtain the percent yield (1.011/137 = 0 * 263 = 1 g; [0. . Key Green Chemistry research areas from a pharmaceutical manufacturers perspective revisited. Solubility determination and modelling of benzamide in organic solvents at temperatures from 283.15 K and 323.15 K, and ternary phase diagrams of benzamide-benzoic acid cocrystals in ethanol at 298.15 K. Przybyek, M.; Zikowska, D.; Mroczyska, K.; Cysewski, P. Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids. More, An example of a molarity calculation using the molarity calculator Subscribe to receive our lastest product updates and special offers! Reaction kinetics and solubility in water-organic binary solutions are governed by similar solvation equilibria. In veterinary medicine, this group of drugs is mainly used for treatment of inflammatory musculoskeletal disorders. Kopach, M.; Leahy, D.; Manley, J. Eur J Med Chem. "New Screening Protocol for Effective Green Solvents Selection of Benzamide, Salicylamide and Ethenzamide" Molecules 27, no. Calorimetric Properties and Solubility in Five Pure Organic Solvents of N-Methyl- d -Glucamine (Meglumine). By using this site, you agree to our, 1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10), Benzamide,2-hydroxy-;Salicylamide;2-Carbamoylphenol;2-Carboxamidophenol;2-Hydroxybenzamide;Salicylic Acid Amide;o-Hydroxybenzamide. Zhang, C.; Wu, J.; Wang, R.; Ma, E.; Wu, L.; Bai, J.; Wang, J. ; Chen, J.; Fu, G.; Gindulyte, A.; Han, L.; He, J.; He, S.; Shoemaker, B.A. Salicylic acid, when applied to the skin surface, works by causing the cells of the epidermis to slough off more readily, preventing pores from clogging up, and allowing room for new cell growth. Ponomarev, I.I. PubMed PMID: 15274753. Freire, M.G. Loschen, C.; Klamt, A. Solubility prediction, solvate and cocrystal screening as tools for rational crystal engineering. https://doi.org/10.3390/molecules27103323, Przybyek, Maciej, Anna Miernicka, Mateusz Nowak, and Piotr Cysewski. Periodic Table of Elements Provides comprehensive data for each element of the periodic table of elements including up to 40 properties, names in 10 languages and common chemical compounds. ; Matxain, J.M. Experimental solubility and density studies on aqueous solutions of quaternary ammonium halides, and thermodynamic modelling for melting enthalpy estimations. Ouyang, J.; Zhou, L.; Liu, Z.; Xiao, S.; Huang, X.; Heng, J.Y.Y. https://doi.org/10.3390/molecules27103323, Przybyek M, Miernicka A, Nowak M, Cysewski P. [35] In 2014, archaeologists identified traces of salicylic acid on seventh-century pottery fragments found in east-central Colorado. Forens. Generic Name. Prediction of aqueous solubility by treatment of COSMO-RS data with empirical solubility equations: The roles of global orbital cut-off and COSMO solvent radius.
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