CAS 1078163-17-3

3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester, compd. with benzenesulfonic acid (1:1)

Description:

3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester, compd. with benzenesulfonic acid (1:1), identified by CAS number 1078163-17-3, is a complex organic compound characterized by its pyridine ring structure, which is substituted with multiple functional groups. This compound features carboxylic acid groups, an ester moiety, and an aminoethoxy side chain, contributing to its potential biological activity and solubility properties. The presence of the benzenesulfonic acid indicates that it may form a salt, which can enhance its stability and solubility in various solvents. The dihydro and methyl substitutions on the pyridine ring suggest that it may exhibit unique reactivity and interaction profiles. Such compounds are often investigated for their pharmacological properties, including potential roles in medicinal chemistry. Overall, the structural complexity and functional diversity of this compound make it a subject of interest in both synthetic and applied chemistry contexts.

Formula: C₂₀H₂₆N₂O₅·C₆H₆O₃S

InChI: InChI=1S/C20H26N2O5.C6H6O3S/c1-4-27-20(24)18-15(12-26-11-10-21)22-13(2)16(19(23)25-3)17(18)14-8-6-5-7-9-14;7-10(8,9)6-4-2-1-3-5-6/h5-9,17,22H,4,10-12,21H2,1-3H3;1-5H,(H,7,8,9)

InChI key: InChIKey=MBQQCGLTQLNOHS-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1C(C(C(OC)=O)=C(C)NC1COCCN)C2=CC=CC=C2.S(=O)(=O)(O)C1=CC=CC=C1

Synonyms:

• 3,5-Pyridinedicarboxylic acid, 2-[(2-aminoethoxy)methyl]-1,4-dihydro-6-methyl-4-phenyl-, 3-ethyl 5-methyl ester, compd. with benzenesulfonic acid (1:1)

Benzenesulfonic acid 3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

CAS: 1078163-17-3

Versatile small molecule scaffold

Formula: C₂₆H₃₂N₂O₈S

Purity: Min. 95%

Molecular weight: 532.6 g/mol

Ref: 3D-DTB16317