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Atomoxetine EP Impurity B HCl

CAT: 1596-AR-A03245-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A03245-01Size:50 Units
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CAS Number
82857-39-4
Synonyms
Ent S- (+) -Atomoxetine Hydrochloride; (S) -N-methyl-3-phenyl-3- (o-tolyloxy) propan-1-amine hydrochloride; (S) -Atomoxetine HCl; (S) - (+) -Tomoxetine hydrochloride; (S) -Tomoxetine hydrochloride; (S) -Atomoxetine HCl
Molecular Formula
C17H21NO. HCl
Molecular Weight
255.35 35.9
API Name
Atomoxetine

Chemical Information

(+)-Tomoxetine hydrochloride

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CAS Number82857-39-4
PubChem CID9926055
IUPAC Name(3S)-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-;/m0./s1
InChIKey
LUCXVPAZUDVVBT-LMOVPXPDSA-N
Chemical Structure
2D Structure
2D structure of (+)-Tomoxetine hydrochloride
CAS: 82857-39-4
CID: 9926055
Formula: C17H22ClNO
MW: 291.8
Interactive 3D Structure
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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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