3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione,6-chloro-1,2-dihydro-17-hydroxy-, (1b,2b)- (2098-66-0)

The Cyproterone with its cas register number is 2098-66-0. It also can be called as 3'H-Cyclopropa(1,2)pregna-1,4,6-triene-3,20-dione, 6-chloro-1-beta,2-beta-dihydro-17-hydroxy- and the Systematic name about this chemical is (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-acetyl-5-chloro-1-hydroxy-8b,10a-dimethyl-2,3,3a,3b,7a,8,8a,8b,8c,9,10,10a-dodecahydrocyclopenta[a]cyclopropa[g]phenanthren-7(1H)-one.

Physical properties about Cyproterone are: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.13; (5)ACD/BCF (pH 7.4): 48.13; (6)ACD/KOC (pH 5.5): 557.03; (7)ACD/KOC (pH 7.4): 557.03; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.37Ų; (12)Index of Refraction: 1.604; (13)Molar Refractivity: 99.58 cm³; (14)Molar Volume: 289.2 cm³; (15)Polarizability: 39.47x10^-24cm³; (16)Surface Tension: 51.9 dyne/cm; (17)Enthalpy of Vaporization: 91.39 kJ/mol; (18)Vapour Pressure: 4.92E-13 mmHg at 25°C.

The Cyproterone is an anti-androgen that, in the form of its acetate (CYPROTERONE ACETATE), also has progestational properties. It is used in the treatment of hypersexuality in males, as a palliative in prostatic carcinoma, and, in combination with estrogen, for the therapy of severe acne and hirsutism in females.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3\C(\Cl)=C/[C@@H]1[C@H](CC[C@@]2([C@@](O)(C(=O)C)CC[C@@H]12)C)[C@@]3(C)[C@H]5C[C@@H]45
(2)InChI: InChI=1/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1
(3)InChIKey: DUSHUSLJJMDGTE-ZJPMUUANBL
(4)Std. InChI: InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1
(5)Std. InChIKey: DUSHUSLJJMDGTE-ZJPMUUANSA-N