2-Despiperidyl-2-amino Repaglinide (637301-29-2)

The 2-Despiperidyl-2-amino Repaglinide with its cas register number is 637301-29-2. The Systematic name about this chemical is 4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-oxo-ethyl]-2-ethoxy-benzoic acid. It belongs to the following product categories, such as Various Metabolites and Impurities, Intermediates & Fine Chemicals, Metabolites & Impurities, Pharmaceuticals and so on. It can be used as a metabolite of Repaglinide (M1).

Physical properties about 2-Despiperidyl-2-amino Repaglinide are: (1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): 0.945; (3)ACD/BCF (pH 5.5): 1.44; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 18.395; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 101.65Ų; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 109.518 cm³; (13)Molar Volume: 327.866 cm³; (14)Polarizability: 43.416x10^-24cm³; (15)Surface Tension: 49.22 dyne/cm; (16)Enthalpy of Vaporization: 99.314 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)c2ccccc2N
(2)InChI:InChI=1/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1
(3)InChIKey: OSCVKZCOJUTUFD-IBGZPJMEBS
(4)Std. InChI: InChI=1S/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)/t19-/m0/s1
(5)Std. InChIKey: OSCVKZCOJUTUFD-IBGZPJMESA-N