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(R) -Duloxetine

CAT: 0804-HY-B0161C-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0161C-01Size:5 mg
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Description
(R) -Duloxetine is a isomer of Duloxetine that causes tonic and usage-dependent impairment of neuronal Na+ channels. (R) -Duloxetine can be used in pain research[1].
CAS Number
116539-60-7
Product Name Alternative
(R) -LY248686
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/r-duloxetine.html
Smiles
CNCC[C@@H](OC1=CC=CC2=C1C=CC=C2)C3=CC=CS3
Molecular Formula
C18H19NOS
Molecular Weight
297.41
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Wang CF, et al. R-Duloxetine and N-Methyl Duloxetine as Novel Analgesics Against Experimental Postincisional Pain. Anesth Analg. 2016 Mar;122 (3) :719-729.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

(R)-Duloxetine

(R)-duloxetine is a duloxetine. It is an enantiomer of a (S)-duloxetine.

CAS Number116539-60-7
PubChem CID10334821
IUPAC Name(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
Molecular FormulaC18H19NOS
Molecular Weight297.4
XLogP4.3
Topological Polar Surface Area49.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity312
SMILES
CNCC[C@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1
InChIKey
ZEUITGRIYCTCEM-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of (R)-Duloxetine
CAS: 116539-60-7
CID: 10334821
Formula: C18H19NOS
MW: 297.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight297.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass297.11873540
Monoisotopic Mass297.11873540
Topological Polar Surface Area49.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity312
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes