Nitrofurantoin
Nitrofurantoin structure
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Common Name | Nitrofurantoin | ||
|---|---|---|---|---|
| CAS Number | 67-20-9 | Molecular Weight | 238.157 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C8H6N4O5 | Melting Point | 268°C | |
| MSDS | Chinese USA | Flash Point | N/A | |
| Symbol |
GHS07, GHS08 |
Signal Word | Danger | |
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cIEF for rapid pKa determination of small molecules: a proof of concept.
Eur. J. Pharm. Sci. 63 , 14-21, (2014) A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) were compared: (i) a hydroxypropylcellulose (HPC) coated cap... |
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Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
Chem. Res. Toxicol. 23 , 171-83, (2010) Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental drug discovery projects toward safer medicines. In this st... |
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Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
J. Sci. Ind. Res. 65(10) , 808, (2006) Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI types (hepatotoxic side effects) seen in the clinic can be tra... |
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The Japanese toxicogenomics project: application of toxicogenomics.
Mol. Nutr. Food. Res. 54 , 218-27, (2010) Biotechnology advances have provided novel methods for the risk assessment of chemicals. The application of microarray technologies to toxicology, known as toxicogenomics, is becoming an accepted approach for identifying chemicals with potential safety proble... |
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Developing structure-activity relationships for the prediction of hepatotoxicity.
Chem. Res. Toxicol. 23 , 1215-22, (2010) Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification o... |
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A predictive ligand-based Bayesian model for human drug-induced liver injury.
Drug Metab. Dispos. 38 , 2302-8, (2010) Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predictive in vivo, in vitro, and in silico models to identify comp... |
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Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).
J. Med. Chem. 51 , 3275-87, (2008) The chemical space of registered oral drugs was explored for inhibitors of the human multidrug-resistance associated protein 2 (MRP2; ABCC2), using a data set of 191 structurally diverse drugs and drug-like compounds. The data set included a new reference set... |
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Hologram QSAR model for the prediction of human oral bioavailability.
Bioorg. Med. Chem. 15 , 7738-45, (2007) A drug intended for use in humans should have an ideal balance of pharmacokinetics and safety, as well as potency and selectivity. Unfavorable pharmacokinetics can negatively affect the clinical development of many otherwise promising drug candidates. A varie... |
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Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.
J. Med. Chem. 51 , 6740-51, (2008) The work provides a new model for the prediction of the MAO-A and -B inhibitor activity by the use of combined complex networks and QSAR methodologies. On the basis of the obtained model, we prepared and assayed 33 coumarin derivatives, and the theoretical pr... |
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An in vitro deletion in ribE encoding lumazine synthase contributes to nitrofurantoin resistance in Escherichia coli.
Antimicrob. Agents Chemother. 58(12) , 7225-33, (2014) Nitrofurantoin has been used for decades for the treatment of urinary tract infections (UTIs), but clinically significant resistance in Escherichia coli is uncommon. Nitrofurantoin concentrations in the gastrointestinal tract tend to be low, which might facil... |