chempirical

Atomoxetine hydrochloride

C17H22ClNOCAS 82248-59-7291.82 g/mol

Open in Covalent MOL file
HNOHCl
EtherSecondary amine

Properties

Molecular formula
C17H22ClNO
Molar mass
291.82 g/mol
Exact mass
291.1390 Da
Melting point
160–161 °C
logP
4.15Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
82248-59-7
SMILES
CNCC[C@@H](Oc1ccccc1C)c1ccccc1.Cl
InChIKey
LUCXVPAZUDVVBT-UNTBIKODSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • Benzenepropanamine, N-methyl-γ-(2-methylphenoxy)-, hydrochloride (1:1), (γR)-
  • Benzenepropanamine, N-methyl-γ-(2-methylphenoxy)-, hydrochloride, (R)-
  • Benzenepropanamine, N-methyl-γ-(2-methylphenoxy)-, hydrochloride, (γR)-
  • LY 139603
  • Tomoxetine hydrochloride
  • (R)-(-)-Tomoxetine hydrochloride
  • (R)-Tomoxetine hydrochloride
  • (R)-(-)-N-Methyl-3-[(2-methylphenyl)oxy]-3-phenyl-1-aminopropane hydrochloride
  • Strattera
  • (R)-N-Methyl-3-(2-methylphenoxy)-3-phenylpropylamine hydrochloride
  • Atemoxetine hydrochloride
  • (R)-N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hydrochloride

Work with Atomoxetine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Atomoxetine83015-26-392 % similar (-)-Fluoxetine hydrochloride114247-09-556 % similar Reconcile56296-78-756 % similar Reconcile59333-67-456 % similar Fluoxetine54910-89-350 % similar Duloxetine hydrochloride136434-34-947 % similar N-Methyl-γ-phenylbenzenepropanamine28075-29-846 % similar 3-(Methylamino)-1-phenyl-1-propanol42142-52-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diphenhydramine hydrochloride147-24-0

Elsewhere

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