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Duloxetine hydrochloride

CAT: 0926-IM58100-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-IM58100-01Size:2 g
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CAS Number
136434-34-9
Synonyms
(+) - (S) -N-Methyl-γ- (1-naphthyloxy) -2-thiophenepropylamine hydrochloride; LY-248686; (S) -N-Methyl-3- (1-naphthalenyloxy) -3- (2-thienyl) p ropanamine hydrochloride
MDL Number
MFCD06801358
Smiles
CNCC[C@@H] (C1=CC=CS1) OC2=CC=CC3=CC=CC=C32.Cl
Molecular Formula
C18H19NOS•HCl
Molecular Weight
333.88 g/mol
Controlled
No

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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