Reboxetine mesylate (98769-84-7)

The IUPAC name of Reboxetine mesylate is (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine; methanesulfonic acid. With the CAS registry number 98769-84-7, it is also named as Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, (R*,R*)-(+-)-, methanesulfonate. The product's categories are active pharmaceutical ingredients; amino acids & derivatives; intermediates & fine chemicals; pharmaceuticals. It is tan or off-white cyrstalline solid which is used as selective noradrenaline reuptake inhibitor. When you use it, you should not breathe dust and avoid contact with skin and eyes. Additionally, Reboxetine mesylate must stored at the temperature of 2-8°C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7.9; (7)ACD/KOC (pH 5.5): 1.73; (8)ACD/KOC (pH 7.4): 78.64; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Flash Point: 188.2 °C; (13)Enthalpy of Vaporization: 70.14 kJ/mol; (14)Boiling Point: 443.7 °C at 760 mmHg; (15)Vapour Pressure: 4.54E-08 mmHg at 25°C; (16)Rotatable Bond Count: 6; (17)Exact Mass: 409.155908; (18)MonoIsotopic Mass: 409.155908; (19)Topological Polar Surface Area: 103; (20)Heavy Atom Count: 28.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=S(=O)(O)C.O(c1ccccc1OCC)[C@H](c2ccccc2)[C@@H]3OCCNC3
2. InChI:InChI=1/C19H23NO3.CH4O3S/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-5(2,3)4/h3-11,18-20H,2,12-14H2,1H3;1H3,(H,2,3,4)/t18-,19-;/m1./s1