Spironolactone

 The Spironolactone, with the cas registry number 52-01-7, has the IUPAC name of S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate. This is a kind of white to off white solid, and is practically insoluble. Its product categories are including Active Pharmaceutical Ingredients; Biochemistry; Steroids; Steroids (Others); Intermediates & Fine Chemicals; Pharmaceuticals; API's. As to its usage, it is a kind of diuretic and also used as an antiandrogen.

The physical properties of this chemical are as follows: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 139.34; (6)ACD/BCF (pH 7.4): 139.34; (7)ACD/KOC (pH 5.5): 1192.14; (8)ACD/KOC (pH 7.4): 1192.14; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 85.74; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 112.68 cm³; (15)Molar Volume: 335.7 cm³; (16)Polarizability: 44.67 ×10^-24 cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 302.3 °C; (20)Enthalpy of Vaporization: 88.93 kJ/mol; (21)Boiling Point: 597 °C at 760 mmHg; (22)Vapour Pressure: 3.24E-14 mmHg at 25°C; (23)Exact Mass: 416.20213; (24)MonoIsotopic Mass: 416.20213; (25)Topological Polar Surface Area: 85.7; (26)Heavy Atom Count: 29; (27)Formal Charge: 0; (28)Complexity: 818.

When you are dealing with this chemical, you should be very cautious. For being a kind of irritant chemical to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Then it is harmful which may cause damage to health. What's more, it is even toxic which could at low levels cause damage to health. This chemical may have impair fertility and may have limited evidence of a carcinogenic effect.

Therefore, you should take the following instructions to protect yourself. Wear suitable protective clothing, gloves and eye/face protection and avoid exposure - obtain special instructions before use. If in case of accident or if you feel unwell seek medical advice immediately (show the label where possible), and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Then do remember not breathe dust. When store it, keep in a dry, cool and well-ventilated place, away from the food raw material.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC5(C4(CC3)C)CCC(=O)O5)C
(2)Isomeric SMILES: CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]5([C@]4(CC3)C)CCC(=O)O5)C
(3)InChI: InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
(4)InChIKey: LXMSZDCAJNLERA-ZHYRCANASA-N 

Below are the toxicity information of this chemical: