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Reboxetine mesylate

CAT: 0024-sc-204232Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204232Size:10 mg
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CAS Number
98769-84-7

Chemical Information

Reboxetine Mesylate

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.

CAS Number98769-84-7
PubChem CID127150
IUPAC Name(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
Molecular FormulaC20H27NO6S
Molecular Weight409.5
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity425
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
Chemical Structure
2D Structure
2D structure of Reboxetine Mesylate
CAS: 98769-84-7
CID: 127150
Formula: C20H27NO6S
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass409.15590875
Monoisotopic Mass409.15590875
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity425
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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