Esreboxetine succinate (635724-55-9)

The Esreboxetine succinate, with the cas registry number 635724-55-9, has the systematic name of (2S)-2-[(S)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine butanedioate (1:1). And the molecular formula of the chemical is C₁₉H₂₃NO₃^.C₄H₆O₄.

The characteristics of this chemical are as followings: (1)H-Bond Donor 3; (2)H-Bond Acceptor 8; (3)Rotatable Bond Count 9; (4)Exact Mass 431.194402; (5)MonoIsotopic Mass 431.194402; (6)Topological Polar Surface Area 114; (7)Heavy Atom Count 31; (8)Formal Charge 0 ; (9)Complexity 425; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 2; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOc1ccccc1OC(c2ccccc2)C3CNCCO3.C(CC(=O)O)C(=O)O
(2)InChI: InChI=1/C19H23NO3.C4H6O4/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;5-3(6)1-2-4(7)8/h3-11,18-20H,2,12-14H2,1H3;1-2H2,(H,5,6)(H,7,8)/t18-,19-;/m0./s1
(3)InChIKey: YXZTUOWIYOESGT-HLRBRJAUBG