Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, hydrochloride, dihydrate, (5a)- (51481-60-8)

This chemical is called Naloxone hydrochloride dihydrate, and its systematic name is (5α)-3,14-dihydroxy-17-prop-2-en-1-yl-4,5-epoxymorphinan-6-one hydrochloride dihydrate. With the molecular formula C₁₉H₂₁NO₄^.HCl^.2(H₂O), its molecular weight is 399.87. The CAS registry number of this chemical is 51481-60-8, and its product categories are Opioids; Antagonists; Pharmacologicals; Enzyme Inhibitors; Enzyme Inhibitors by Type; Other. In additon, this chemical is white to off-white powder, and it should be stored at the temperature of 2-8°C.

Other characteristics of the Naloxone hydrochloride dihydrate can be summarised as followings: (1)# of Rule of 5 Violations: 1; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 3.56; (6)#H bond acceptors: 7; (7)#H bond donors: 6; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 70 Å²; (10)Flash Point: 360.8 °C; (11)Enthalpy of Vaporization: 103.85 kJ/mol; (12)Boiling Point: 673 °C at 760 mmHg; (13)Vapour Pressure: 4.95E-19 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: The Naloxone hydrochloride dihydrate is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. Do not breathe dust. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.    

You can still convert the following datas into molecular structure: 
(1)SMILES: Cl.O.O.O=C1CC[C@@]5(O)[C@H]2Cc4ccc(O)c3O[C@@H]1[C@]5(CCN2CC=C)c34
(2)InChI: InChI=1/C19H21NO4.ClH.2H2O/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11;;;/h2-4,14,17,21,23H,1,5-10H2;1H;2*1H2/t14-,17+,18+,19-;;;/m1.../s1
(3)InChIKey: TXMZWEASFRBVKY-IOQDSZRYBE