Reboxetine mesylate, Noradrenaline reuptake inhibitor

Key facts

CAS number

98769-84-7

Purity

>99%

Form

Solid

form

Molecular weight

409.5 Da

Molecular formula

C₂₀H₂₇NO₆S

PubChem

127150

Nature

Synthetic

Solubility

Soluble in water to 100 mM

Biochemical name

Reboxetine mesylate

Biological description

Potent, selective noradrenaline reuptake inhibitor, with high selectivity over dopamine and 5-HT transporters. Antidepressant in vivo.

Canonical smiles

CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O

Isomeric smiles

CCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3.CS(=O)(=O)O

InChi

InChI=1S/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

InChiKey

CGTZMJIMMUNLQD-STYNFMPRSA-N

IUPAC Name

(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid