64-85-7

The Desoxycorticosterone, with the CAS registry number 64-85-7, is also known as 4-Pregnen-21-ol-3,20-dione. It belongs to the product categories of Steroids; Intermediates & Fine Chemicals; Pharmaceuticals. Its EINECS number is 200-596-4. This chemical's molecular formula is C₂₁H₃₀O₃ and molecular weight is 330.47. What's more, its systematic name is 21-Hydroxypregn-4-ene-3,20-dione. Its classification codes are: (1)Hormones; (2)Hormones, Hormone Substitutes, and Hormone Antagonists; (3)Mineralocorticoids; (4)Mutation data; (5)Reproductive Effect. This chemical is a steroid hormone produced by the adrenal gland that possesses mineralocorticoid activity and acts as a precursor to aldosterone. 

Physical properties of Desoxycorticosterone are: (1)ACD/LogP: 3.216; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 163.75; (6)ACD/BCF (pH 7.4): 163.75; (7)ACD/KOC (pH 5.5): 1338.18; (8)ACD/KOC (pH 7.4): 1338.18; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.37 Å²; (13)Index of Refraction: 1.559; (14)Molar Refractivity: 92.491 cm³; (15)Molar Volume: 286.302 cm³; (16)Polarizability: 36.666×10^-24cm³; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.154 g/cm³; (19)Flash Point: 263.05 °C; (20)Enthalpy of Vaporization: 86.877 kJ/mol; (21)Boiling Point: 488.024 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical has a limited evidence of a carcinogenic effect. It has a danger of serious damage to health by prolonged exposure. You should not breathe dust. When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)Std. InChI: InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
(3)Std. InChIKey: ZESRJSPZRDMNHY-YFWFAHHUSA-N

The toxicity data is as follows: