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Duloxetine hydrochloride

CAT: 0931-T1471-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T1471-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136434-34-9
Target
Dopamine Receptor, 5-HT Receptor, Norepinephrine, Serotonin Transporter
Related Pathways
GPCR/G Protein, Neuroscience
Purity
>99.99%
Bioactivity
Duloxetine hydrochloride ((S) -Duloxetine hydrochloride) is a thiophene derivative and selective neurotransmitter uptake inhibitor for serotonin and noradrenaline (SNRI) . It is an antidepressant agent and anxiolytic, also used for treating pain in patients with diabetes mellitus and fibromyalgia.
Smiles
s1cccc1[C@@H](Oc1cccc2c1cccc2)CCNC.Cl
Molecular Formula
C18H20ClNOS
Molecular Weight
333.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Duloxetine Hydrochloride

(S)-duloxetine hydrochloride is a duloxetine hydrochloride in which the duloxetine moiety has S configuration. It has a role as an antidepressant. It contains a (S)-duloxetine.

CAS Number136434-34-9
PubChem CID60834
IUPAC Name(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
Molecular FormulaC18H20ClNOS
Molecular Weight333.9
Topological Polar Surface Area49.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity312
SMILES
CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl
InChI
InChI=1S/C18H19NOS.ClH/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;1H/t17-;/m0./s1
InChIKey
BFFSMCNJSOPUAY-LMOVPXPDSA-N
Chemical Structure
2D Structure
2D structure of Duloxetine Hydrochloride
CAS: 136434-34-9
CID: 60834
Formula: C18H20ClNOS
MW: 333.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass333.0954131
Monoisotopic Mass333.0954131
Topological Polar Surface Area49.5 Ų
Heavy Atom Count22
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 Count2
Compound Is CanonicalizedYes

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