CAS 220120-14-9

4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Description:

4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:1), with CAS number 220120-14-9, is a complex organic compound characterized by its multi-functional structure. It features a tetrahydropyridine core, which contributes to its potential biological activity, and incorporates a fluorophenyl group that may enhance lipophilicity and influence receptor interactions. The presence of a triazole moiety suggests potential for antifungal or antimicrobial properties, as triazoles are known for their role in inhibiting fungal cytochrome P450 enzymes. Additionally, the carboxylate groups indicate the compound may exhibit acidic properties, which could affect its solubility and reactivity in various environments. This compound's intricate structure suggests it may be of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. Its stability, solubility, and reactivity would depend on the specific conditions and solvents used in experimentation or application.

Formula: C₁₇H₂₁FN₄·C₆H₈O₇

InChI: InChI=1S/C17H21FN4.C6H8O7/c18-17-5-3-15(4-6-17)16-7-11-21(12-8-16)9-1-2-10-22-14-19-13-20-22;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,13-14H,1-2,8-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChI key: InChIKey=LTBKOSQVBVYJKW-UHFFFAOYSA-N

SMILES: C(CCCN1C=NC=N1)N2CCC(=CC2)C3=CC=C(F)C=C3.C(CC(O)=O)(CC(O)=O)(C(O)=O)O

Synonyms:

• 4-(4-Fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]pyridine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
• Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-[4-(1H-1,2,4-triazol-1-yl)butyl]-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
• E 5842

E-5842 (Citrate)

CAS: 220120-14-9

E-5842 (Citrate), an opioid receptor agonist, is used potentially for the treatment of psychotic disorders.

Formula: C₂₃H₂₉FN₄O₇

Purity: 98%

Color and Shape: Solid

Molecular weight: 492.5

Ref: TM-T27232