Table 1 1 H in Biotransformation of papaverine and in silico docking studies of the metabolites on human phosphodiesterase 10 a

Table 1 1 H NMR (400 MHz) spectroscopic data for Papaverine, metabolites 1 and 4 (in CDCl) and metabolites 2, 3, 5 and 6 (in DMSO d) a. 3 ‑ 6
PositionpapaverineδH (multiplicities, J in Hz)12345638.33, d (5.6)8.29, d (5.5)8.17, d (5.7)8.38, d (5.6)8.33, d (6.1)8.24, d (5.7)8.31, d (6.1)47.53, d (5.7)7.42, d (5.5)7.42, d (5.7)7.63, d (5.7)7.83, d (6.1)7.48, d (5.6)7.87, d (6.1)57.01, s7.02, s7.14, s7.74, s7.23, s7.45, s7.55, s87.41, s7.35, s7.52, s7.83, s7.60, s7.54, s7.72, s2′6.94, d (1.8)6.77, d (2)7.00, d (2)7.05, d (1.8)7.29, brs7.00, d (1.8)7.19, d (1.6)5′6.74, brs6.76, brs6.803, brs6.80, brs6.80, brs6.79, d (8.2)6.95, d (8.5)6′6.82, m6.74, m6.800, brs6.81, m6.82, m6.74, dd (8.2, 1.9)6.82, dd (8.5, 1.6)α4.56, s4.52, s4.47, s4.56, s4.91, s4.48, s4.71, s6-OMe4.02, s3.97, s__3.93, s4.10, s__3.97, s7-OMe3.93, s3.87, s3.89, s3.86, s4.02, s3.87, s3.94, s3′-OMe3.78, s3.65, s3.66, s3.67, s__3.66, s3.72, s4′-OMe3.80, s__3.68, s3.69, s3.87, s3.67, s__1′′__________5.17, d (7.89)4.82, d (7.76)2′′__________3.41 (m)3.41 (m)3′′__________3.46 (m)3.46 (m)4′′__________3.04 (t, 9.0)3.02 (t, 9.0)5′′__________3.48 (m)3.48 (m)6′′__________3.55 (brd, 5.9)3.55 (brd, 5.9)4′′-OMe__________3.46, s3.43, s