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CAS 532929-67-2

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3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, benzenesulfonate, hydrate (1:1:1)

Description:
3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, benzenesulfonate, hydrate (1:1:1) is a complex organic compound characterized by its multi-functional structure, which includes a pyridine ring with carboxylic acid groups and various substituents that enhance its chemical reactivity and solubility. The presence of the benzenesulfonate moiety suggests that it may exhibit good solubility in polar solvents, making it suitable for various applications in pharmaceuticals or agrochemicals. The compound's hydrophilic and hydrophobic regions may contribute to its biological activity, potentially influencing its interaction with biological targets. Additionally, the presence of amino and ether functionalities indicates potential for hydrogen bonding and interaction with biological macromolecules. Its molecular structure suggests that it may be involved in various chemical reactions, including esterification and nucleophilic substitution. Overall, this compound's unique characteristics make it a subject of interest for further research in medicinal chemistry and related fields.
Formula:C20H25ClN2O5·C6H6O3S·H2O
InChI:InChI=1S/C20H25ClN2O5.C6H6O3S.H2O/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;7-10(8,9)6-4-2-1-3-5-6;/h5-8,17,23H,4,9-11,22H2,1-3H3;1-5H,(H,7,8,9);1H2
InChI key:InChIKey=HCCDDRGYEWJVFQ-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(C(C(OC)=O)=C(C)NC1COCCN)C2=C(Cl)C=CC=C2.S(=O)(=O)(O)C1=CC=CC=C1.O
Synonyms:
  • 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, benzenesulfonate, hydrate (1:1:1)
  • 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydro-6-methyl-, 3-ethyl 5-methyl ester, monobenzenesulfonate, monohydrate
  • Amlodipine besylate monohydrate
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