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Atomoxetine hydrochloride

CAT: 0127-BUP13987-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13987-01Size:25 mg
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CAS Number
82248-59-7
Synonyms
Tomoxetine hydrochloride, (R) -Tomoxetine hydrochloride, LY 139603, Atomoxetine HCl, LY 139603 HCl
Purity
=98%
Smiles
Cl.CNCC[C@@H](Oc1ccccc1C)c1ccccc1

Chemical Information

Atomoxetine Hydrochloride

Atomoxetine hydrochloride is the hydrochloride salt of atomoxetine. It has a role as an antidepressant and an adrenergic uptake inhibitor. It contains an atomoxetine.

CAS Number82248-59-7
PubChem CID54840
IUPAC Name(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride
Molecular FormulaC17H22ClNO
Molecular Weight291.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity237
SMILES
CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2.Cl
InChI
InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1
InChIKey
LUCXVPAZUDVVBT-UNTBIKODSA-N
Chemical Structure
2D Structure
2D structure of Atomoxetine Hydrochloride
CAS: 82248-59-7
CID: 54840
Formula: C17H22ClNO
MW: 291.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass291.1389920
Monoisotopic Mass291.1389920
Topological Polar Surface Area21.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity237
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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