Reboxetine mesylate supplier | CasNO.98769-84-7

Name
Reboxetine mesylate
EINECS
CAS No. 98769-84-7
Article Data3
CAS DataBase
Density
Solubility water: ~8 mg/mL at ≤ 60 °C
Melting Point 170-171°C
Formula C₁₉H₂₃NO₃^.CH₄O₃S
Boiling Point 443.7 °C at 760 mmHg
Molecular Weight 409.503
Flash Point 188.2 °C
Transport Information
Appearance tan or off-white cyrstalline solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Reboxetine mesylate [USAN];(2R)-2-[(R)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine; methanesulfonic acid;FCE 20124;Morpholine, 2-((R)-(2-ethoxyphenoxy)phenylmethyl)-, (2R)-rel-, methanesulfonate;Edronax;Morpholine, 2-((2-ethoxyphenoxy)phenylmethyl)-, (R*,R*)-(+-)-, methanesulfonate;
PSA 102.47000
LogP 4.10740

Reboxetine mesylate Specification

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

Product Name

Reboxetine mesylate

Reboxetine mesylate Specification

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