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Reboxetine Mesylate

CAT: 0572-TRC-R142000-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R142000-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98769-84-7
Synonyms
Reboxetine Mesilate; Morpholine, 2-[(R)-(2-ethoxyphenoxy)phenylmethyl]-, (2R)-rel-, methanesulfonate (9CI); Davedax; Edronax; FCE 20124; PNU 155905E; PNU 155950E; Reboxetine mesilate; Reboxetine mesylate; Morpholine, 2-[(R)-(2-ethoxyphenoxy)phenylmethyl]-, (2R)-rel-, methanesulfonate (1:1); Morpholine, 2-[(2-ethoxyphenoxy)phenylmethyl]-, (R*,R*)-(+/-)-, methanesulfonate; (+/-) Reboxetine mesylate
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
CCOc1ccccc1O[C@@H]([C@H]2CNCCO2)c3ccccc3.CS(=O)(=O)O
Molecular Formula
C19 H23 N O3 . C H4 O3 S
Molecular Weight
409.5
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
Additionnal Information
IUPAC name: (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

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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