Pregna-1,4-diene-3,20-dione,6,9-difluoro-11-hydroxy-16-methyl-21-[(1-oxopentyl)oxy]-, (6a,11b,16a)- (59198-70-8)

The Diflucortolone valerate with cas registry number of 59198-70-8 is also known as DFV; Diflucortolonvalerianat [German]; Difluocortolone valerianate; Nerisona; Nerisone; Temetex; Texmeten; UNII-1A63Z067C8. Its IUPAC name is named as [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate. It belongs to classification codes of Anti-Inflammatory Agents; Drug / Therapeutic Agent; Hormone; Reproductive Effect. Its EINECS registry number 261-655-8.

Physical properties about this chemical are: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.65; (4)ACD/LogD (pH 7.4): 4.65; (5)ACD/BCF (pH 5.5): 2015.95; (6)ACD/BCF (pH 7.4): 2015.95; (7)ACD/KOC (pH 5.5): 8071.31; (8)ACD/KOC (pH 7.4): 8071.28; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 80.67 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 122.24 cm³; (15)Molar Volume: 390.8 cm³; (16)Polarizability: 48.46 ×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 303.7 °C; (20)Enthalpy of Vaporization: 99.42 kJ/mol; (21)Boiling Point: 578.5 °C at 760 mmHg; (22)Vapour Pressure: 8.58E-16 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Poison by subcutaneous route. Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of F^-.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3/t15-,17+,18+,20+,22+,24-,25+,26+,27+/m1/s1
(2)Smiles: C[C@@]12[C@@]3(F)[C@@H](O)C[C@]4(C)[C@@H](C(=O)COC(=O)CCCC)[C@H](C)C[C@@H]4[C@@H]3C[C@@H](F)C1=CC(=O)C=C2

The toxicity data is as follows: