Atomoxetine hydrochloride
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
Hazards
Danger
- H301 Toxic if swallowed70% of notifiers
- H302 Harmful if swallowed30% of notifiers
- H311 Toxic in contact with skin10% of notifiers
- H318 Causes serious eye damage70% of notifiers
- H319 Causes serious eye irritation10% of notifiers
- H330 Fatal if inhaled60% of notifiers
- H331 Toxic if inhaled10% of notifiers
- H336 May cause drowsiness or dizziness30% of notifiers
- H361 Suspected of damaging fertility or the unborn child20% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure40% of notifiers
- H400 Very toxic to aquatic life60% of notifiers
- H410 Very toxic to aquatic life with long lasting effects50% of notifiers
- H411 Toxic to aquatic life with long lasting effects20% of notifiers
Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P337+P317, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
82248-59-7SMILES
CNCC[C@@H](Oc1ccccc1C)c1ccccc1.ClInChIKey
LUCXVPAZUDVVBT-UNTBIKODSA-NInChI
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./s1Weigh 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(-)-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
Duloxetine116539-59-442 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.