Pregnane-3,20-dione, (5alpha)-

The 5-alpha-Dihydroprogesterone, with the CAS registry number 566-65-4, is also known as Pregnane-3,20-dione, (5-alpha)- (9CI). It belongs to the product category of Steroids. Its EINECS registry number is 209-297-3. This chemical's molecular formula is C₂₁H₃₂O₂ and molecular weight is 316.48. Its IUPAC name is called (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one. This chemical's classification codes are Drug / Therapeutic Agent; Hormone.

Physical properties of 5-alpha-Dihydroprogesterone: (1)ACD/LogP: 4.31; (2)ACD/LogD (pH 5.5): 4.31; (3)ACD/LogD (pH 7.4): 4.31; (4)ACD/BCF (pH 5.5): 1115.92; (5)ACD/BCF (pH 7.4): 1115.92; (6)ACD/KOC (pH 5.5): 5285.61; (7)ACD/KOC (pH 7.4): 5285.61; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 91.11 cm³; (12)Molar Volume: 301.8 cm³; (13)Surface Tension: 37.2 dyne/cm; (14)Density: 1.048 g/cm³; (15)Flash Point: 160.3 °C; (16)Enthalpy of Vaporization: 68.44 kJ/mol; (17)Boiling Point: 429.2 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
(2)Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C
(3)InChI: InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16-,17+,18-,19-,20-,21+/m0/s1
(4)InChIKey: XMRPGKVKISIQBV-BJMCWZGWSA-N

The toxicity data is as follows: