Reboxetine mesilateProduct ingredient for Reboxetine
- Name
- Reboxetine mesilate
- Drug Entry
- Reboxetine
Reboxetine is an antidepressant drug used in the treatment of clinical depression, panic disorder and ADD/ADHD. Its mesylate (i.e. methanesulfonate) salt is sold under tradenames including Edronax, Norebox, Prolift, Solvex, Davedax or Vestra. Reboxetine has two chiral centers, but it only exists as two enantiomers, (R,R)-(-)- and (S,S)-(+)-reboxetine.
- Accession Number
- DBSALT000890
- Structure
Structure for Reboxetine mesilate (DBSALT000890)
- Synonyms
- Reboxetine mesylate / Reboxetine methanesulfonate / Reboxetine methanesulphonate / Reboxetine methansulphonate
- UNII
- L94J81YNNY
- CAS Number
- 98769-84-7
- Weight
- Average: 409.5
Monoisotopic: 409.155908767 - Chemical Formula
- C20H27NO6S
- InChI Key
- CGTZMJIMMUNLQD-STYNFMPRSA-N
- 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
- IUPAC Name
- (2R)-2-[(R)-(2-ethoxyphenoxy)(phenyl)methyl]morpholine; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.[H][C@@]1(CNCCO1)[C@H](OC1=CC=CC=C1OCC)C1=CC=CC=C1
- External Links
- ChemSpider
- 112869
- ChEMBL
- CHEMBL2105282
- Wikipedia
- Reboxetine
- Predicted Properties
Property Value Source Water Solubility 0.0223 mg/mL ALOGPS logP 3.06 ALOGPS logP 3.28 Chemaxon logS -4.2 ALOGPS pKa (Strongest Basic) 7.91 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 39.72 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 89.48 m3·mol-1 Chemaxon Polarizability 34.42 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon