Orphenadrinium dihydrogen citrate

Abstract

In the title salt, C18H24NO+·C6H7O7 −, the dihedral angle between the benzene rings in the cation is 74.2 (5)°. In the crystal, anion–anion O—H⋯O hydrogen bonds and weak O—H⋯O inter­actions form infinite chains along [100]. Between these chains, cation–anion N—H—O hydrogen bonds are observed, forming an alternate pattern of cation and anion layers and leading to a two-dimensional network parallel to (100).

Carbinoxaminium dipicrate

“…A study on carbinoxamine maleate describing the crystallographic structure and chemical relationships of Clistin to other well known antihistaminic drugs and also correlating these chemical aspects with the pharmacological effects produced by this new drug as compared with other antihistaminic agents has been reported by Bertolasi et al (1980). Some number of related structures was reported earlier -orphenadrinium picrate picric acid (Fun et al, 2010); orphenadrinium dihydrogen citrate (Kaur et al, 2013); doxylamine hydrogen succinate (Parvez et al, 2001). In view of the importance of carbinoxamine, this paper reports the crystal structure of the title compound, (I).…”

“…For the effect of antihistamines on psychomotor performance, see: Seppala et al (1981). For related structures, see: Bertolasi et al (1980); Parvez et al (2001); Fun et al (2010); Kaur et al (2013). For standard bond lengths, see: Allen et al (1987).…”

Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents

“…Drug design and research in vibrational spectroscopy rely heavily on quantum chemical computations and molecular modeling [21,22]. The XRD study of the ODC is reported by Kaur et al [23]. The quantum chemistry theory, DFT, molecular models and vibrational spectroscopy are heavily used in drug research and development [24].…”

“…Docking together with MD simulations was used to determine the biological activity of ODC by determining drug likeness, ligand interactions and appropriate protein interactions. Methods ODC was obtained as a gift sample from Kaur et al [23] and the vibrational spectra are given in Fig. S1 and Fig.…”