The Idoxifene, with the CAS registry number 116057-75-1, is also known as Pyrrolidine, 1-[2-[4-[1-(4-iodophenyl)-2-phenyl-1-butenyl]phenoxy]ethyl]-,(E)-. This chemical's molecular formula is C₂₈H₃₀INO and molecular weight is 523.45. What's more, its systematic name is 1-(2-{4-[(1E)-1-(4-Iodophenyl)-2-phenyl-1-buten-1-yl]phenoxy}ethyl)pyrrolidine. Its classification codes are: (1)Antineoplastic; (2)Drug / Therapeutic Agent; (3)Estrogen Receptor Modulators; (4)Estrogen antagonists; (5)Hormone Antagonists; (6)Hormone [replacement therapy, estrogen receptor antagonist]; (7)Hormones, Hormone Substitutes, and Hormone Antagonists; (8)Mutation data; (9)Osteoporosis treatment and prevention; (10)Reproductive Effect. Idoxifene is a non-steroidal estrogen antagonist. It is structurally analogous to tamoxifen.

Physical properties of Idoxifene are: (1)ACD/LogP: 9.5; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.44; (4)ACD/LogD (pH 7.4): 7.34; (5)ACD/BCF (pH 5.5): 8506.01; (6)ACD/BCF (pH 7.4): 66878.55; (7)ACD/KOC (pH 5.5): 3053.58; (8)ACD/KOC (pH 7.4): 24008.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 138.838 cm³; (15)Molar Volume: 393.845 cm³; (16)Polarizability: 55.04×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.329 g/cm³; (19)Flash Point: 300.61 °C; (20)Enthalpy of Vaporization: 85.938 kJ/mol; (21)Boiling Point: 573.447 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Idoxifene: this chemical can be prepared by pyrrolidine and (E)-1-[4-(2-chloroethoxy)phenyl]-1-(4-iodophenyl)-2-phenyl-1-butene by heating. This reaction will need solvent ethanol with the reaction time of 2 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)\C(=C(\c2ccccc2)CC)c4ccc(OCCN3CCCC3)cc4
(2)Std. InChI: InChI=1S/C28H30INO/c1-2-27(22-8-4-3-5-9-22)28(23-10-14-25(29)15-11-23)24-12-16-26(17-13-24)31-21-20-30-18-6-7-19-30/h3-5,8-17H,2,6-7,18-21H2,1H3/b28-27-
(3)Std. InChIKey: JJKOTMDDZAJTGQ-DQSJHHFOSA-N