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CAS 835621-07-3

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2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, hydrochloride (1:1)

Description:
2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, hydrochloride (1:1) is a complex organic compound characterized by its multi-functional structure, which includes a pyridine ring, amide groups, and a chloro-trifluoromethyl phenyl moiety. This compound is typically classified as a pharmaceutical intermediate or active ingredient, often investigated for its potential biological activities, including anti-inflammatory or anticancer properties. The presence of halogen substituents, such as chlorine and fluorine, can enhance lipophilicity and influence the compound's pharmacokinetic properties. As a hydrochloride salt, it is likely to exhibit improved solubility in aqueous environments, facilitating its use in biological assays or formulations. The compound's molecular interactions, stability, and reactivity are influenced by its functional groups, making it a subject of interest in medicinal chemistry. Safety data and handling precautions are essential due to the presence of halogenated components, which may pose environmental and health risks.
Formula:C21H15ClF4N4O3·ClH
InChI:InChI=1S/C21H15ClF4N4O3.ClH/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H
InChI key:InChIKey=ACSWJKPZXNIVMY-UHFFFAOYSA-N
SMILES:O(C=1C=C(C(NC)=O)N=CC1)C2=CC(F)=C(NC(NC3=CC(C(F)(F)F)=C(Cl)C=C3)=O)C=C2.Cl
Synonyms:
  • 2-Pyridinecarboxamide, 4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, hydrochloride (1:1)
  • 2-Pyridinecarboxamide,4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-3-fluorophenoxy]-N-methyl-, monohydrochloride
  • Regafenib hydrochloride
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