Depofemin

The IUPAC name of Depofemin is [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate. With the CAS registry number 313-06-4, it is also named as 17beta-Estradiol 17-cyclopentylpropionate. The classification codes are Contraceptive Agents; Contraceptive Agents, Female; Estrogen; Hormone; Reproductive Control Agents; Reproductive Effect. It is white or off-white crystalline powder which is insoluble in water, soluble in chloroform, dioxane, acetone, and slightly soluble in ethanol and vegetable oil.

The other characteristics of Depofemin can be summarized as: (1)ACD/LogP: 7.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.58; (4)ACD/LogD (pH 7.4): 7.58; (5)ACD/BCF (pH 5.5): 342248.72; (6)ACD/BCF (pH 7.4): 341769.94; (7)ACD/KOC (pH 5.5): 318458.41; (8)ACD/KOC (pH 7.4): 318012.91; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 114.47 cm³; (14)Molar Volume: 344.2 cm³; (15)Polarizability: 45.38×10^-24 cm³; (16)Surface Tension: 49.2 dyne/cm; (17)Enthalpy of Vaporization: 83.9 kJ/mol; (18)Vapour Pressure: 5.73E-12 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Tautomer Count: 9; (21)Exact Mass: 396.266445; (22)MonoIsotopic Mass: 396.266445; (23)Topological Polar Surface Area: 46.5; (24)Heavy Atom Count: 29; (25)Complexity: 597.

Uses of Depofemin: It is long-term estrogen drug. which is used in clinic for ovarian dysfunction, amenorrhea, menopausal syndrome, senile vaginitis and prostate cancer and so on.

When you are using this chemical, please be cautious about it as the following:
The Depofemin is not only harmful by inhalation, in contact with skin and if swallowed, but also irritating to eyes, respiratory system and skin. In addition, it may cause cancer, heritable genetic damage and harm to the unborn child. So people should not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)  

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O[C@H]3CC[C@H]4[C@H]2[C@@H](c1ccc(O)cc1CC2)CC[C@]34C)CCC5CCCC5
2. InChI:InChI=1/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1

The following are the toxicity data which has been tested.