Products for Research Use Only

(+) -Tomoxetine hydrochloride

CAT: 0013-GTR19224664-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224664-01Size:25 mg
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Description
(+) -Tomoxetine hydrochloride is a selective norepinephrine reuptake inhibitor (NRI) used in neuroscience research. It is a key pharmacological tool for studying noradrenergic neurotransmission in vitro and in vivo, particularly in models of attention deficit hyperactivity disorder (ADHD) and related conditions.
CAS Number
82857-39-4
Field of Research
Neuroscience
Smiles
[C@H] (OC1=C (C) C=CC=C1) (CCNC) C2=CC=CC=C2.Cl
Molecular Formula
C17H22ClNO
Molecular Weight
291.82
Storage Conditions
-20°C
Notes
For research use only.

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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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