Androsta-1,4-diene-17-carboxylicacid, 11,17-dihydroxy-3-oxo-, chloromethyl ester, (11b,17a)- (129260-79-3)

The cas register number of Loteprednol is 129260-79-3. It also can be called as 17a-Hydroxy-11b-hydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid chloromethyl ester and the IUPAC Name about this chemical is chloromethyl(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylate.

Physical properties about Loteprednol are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 11; (5)ACD/BCF (pH 7.4): 11; (6)ACD/KOC (pH 5.5): 192; (7)ACD/KOC (pH 7.4): 192; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 83.83Ų; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 100.521 cm³; (14)Molar Volume: 294.725 cm³; (15)Polarizability: 39.85x10^-24cm³; (16)Surface Tension: 56.807 dyne/cm; (17)Enthalpy of Vaporization: 92.784 kJ/mol.

Loteprednol is a corticosteroid used in ophthalmology,applications for this drug include the treatment of inflammation of the eye due to allergies (according to the prescription information sheet), as well as chronic forms of keratitis (e.g.: adenoviral and Thygeson’s keratitis), vernal keratoconjunctivitis, pingueculitis, and episcleritis.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCOC(=O)[C@@]1(O)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@]/3(/C=C\C(=O)\C=C\3CC4)C
(2)InChI: InChI=1/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1 
(3)InChIKey: YPZVAYHNBBHPTO-MXRBDKCIBS
(4)Std. InChI: InChI=1S/C21H27ClO5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,18(25)27-11-22)20(15,2)10-16(24)17(14)19/h5,7,9,14-17,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1 
(5)Std. InChIKey: YPZVAYHNBBHPTO-MXRBDKCISA-N