Droloxifene citrate (97752-20-0)

The Droloxifene citrate with the cas number 97752-20-0 is also called 3-Hydroxytamoxifen citrate. The IUPAC name is 3-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenol;2-hydroxypropane-1,2,3-tricarboxylic acid. Its EINECS registry number is 97752-20-0. The molecular formula is C₂₆H₂₉NO₂^.C₆H₈O₇.

The properties of the chemical are: (1)ACD/LogP: 7.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.46; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 300.38; (6)ACD/BCF (pH 7.4): 10430.1; (7)ACD/KOC (pH 5.5): 322.76; (8)ACD/KOC (pH 7.4): 11207.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 21.7 Å²; (13)Enthalpy of Vaporization: 83.11 kJ/mol; (14)Vapour Pressure: 1.05×10^-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.O(c1ccc(cc1)/C(c2cccc(O)c2)=C(\c3ccccc3)CC)CCN(C)C
(2)InChI: InChI=1/C26H29NO2.C6H8O7/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,19,28H,4,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+;
(3)InChIKey: GTJXPMSTODOYNP-BTKVJIOYBW