Name: Cyproterone
SKU: 2098-66-0

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Basic Information

Molecular Structure:
CAS No.:	2098-66-0
Name:	Cyproterone
Article Data:	6

Formula:	C₂₂H₂₇ClO₃
Molecular Weight:	374.908
Synonyms:	3'H-Cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione,6-chloro-1b,2b-dihydro-17-hydroxy- (8CI);Pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-1a,2a-methylene- (7CI);1,2a-Methylene-6-chloro-6-17a-hydroxyprogesterone;6-Chloro-1,2a-methylene-4,6-pregnadien-17a-ol-3,20-dione;6-Chloro-17-hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione;6-Chloro-6-dehydro-17a-hydroxy-1,2a-methyleneprogesterone;SH 80881;SH 881;
Density:	1.296 g/cm³
Melting Point:	208-210 °C
Boiling Point:	521 °C at 760 mmHg
Flash Point:	268.9 °C
PSA:	60.44000
LogP:	4.60760

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Specification

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: 43.37Å²; (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