Atomoxetine
Also known as Tomoxetine, (-)-Tomoxetine, Tomoxetina
Key facts
What buyers check first
- CAS number
- 83015-26-3
- Formula
- C17H21NO
- Molar mass
- 255.36 g/mol
- Solubility
- White to practically white solid solubility of 27.8 mg/L in water. /Hydrochloride/
- HS code
- 292229
- Category
- Central nervous system drugs
What is Atomoxetine?
Plain description, key identifiers and synonyms
Atomoxetine is a secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. It has a role as an antidepressant, an adrenergic uptake inhibitor, a xenobiotic and an environmental contaminant. It is a member of toluenes, an aromatic ether and a secondary amino compound.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
- CAS number
- 83015-26-3 CAS number cross-checkedOther or deprecated CAS: 1027094-45-6, 82248-59-7
- EC number
- 617-427-9
- Molecular formula
- C17H21NO
- UNII
- ASW034S0B8
- MDL number
- MFCD06804608
- InChIKey
- VHGCDTVCOLNTBX-QGZVFWFLSA-N
- InChI
- InChI=1S/C17H21NO/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/t17-/m1/s1
- Canonical SMILES
- CNCCC(Oc1ccccc1C)c1ccccc1
- Isomeric SMILES
- CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2
Synonyms
- Tomoxetine
- (-)-Tomoxetine
- Tomoxetina
- Tomoxetinum
- Atomoxetina
- methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine
- Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gammaR)-
- Ad313 component atomoxetine
- ad-313 Component atomoxetine
- Tomoxetinum (Latin)
- methyl((3R)-3-(2-methylphenoxy)-3-phenylpropyl)amine
- atomoxetinum
- (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
- Strattera
- (R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine
- Tocris-2011
- Atomoxetine (USP/INN)
- PST1 - Psychostimulants
- (3R)-N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine
- Ad109 component atomoxetine
- PDSP1_000504
- PDSP2_000502
- ad-109 Component atomoxetine
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Solubility | White to practically white solid solubility of 27.8 mg/L in water. /Hydrochloride/exp.Measured value |
|---|
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 255.36 g/molcalc.Computed value |
|---|---|
| Exact mass | 255.1623 Dacalc.Computed value |
| LogP (octanol/water) | 3.72calc.Computed value |
| Topological polar surface area | 21.26 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 6calc.Computed value |
| Heavy atoms | 19calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.29calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(COc2ccccc2)cc1
2 rings, 14 atoms, the Benzyl phenyl ether ring system.
10,771 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301 + H331Toxic if swallowed. Toxic if inhaled.
- H301Toxic if swallowed.
- H318Causes serious eye damage.
- H331Toxic if inhaled.
- H361Suspected of damaging fertility or the unborn child.
- H411Toxic to aquatic life with long lasting effects.
Precautionary statements (20)
- P203Obtain, read and follow all safety instructions before use.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P316Get emergency medical help immediately.
- P317Get medical help.
- P318If exposed or concerned, get medical advice.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P391Collect spillage.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidAtomoxetine suppliers
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- India ManufacturerUnclaimed profileAtomoxetineGrade, purity and minimum order on requestPrice on request
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- India ManufacturerUnclaimed profileAtomoxetineGrade, purity and minimum order on requestPrice on request
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Where suppliers are based
62 suppliers in 14 countries
- China17
- United States16
- India11
- Spain3
- Germany2
- United Kingdom2
- and 8 more countries
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Atomoxetine price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Adrenergic Uptake Inhibitors.
Industries and functions
Roles
- adrenergic agent
- adrenergic uptake inhibitor
- antidepressant
- antidyskinesia agent
- antineoplastic agent
- antiparkinson drug
- antipsychotic agent
- cardiovascular drug
- central nervous system depressant
- central nervous system drug
- environmental contaminant
- hypoglycemic agent
- neurotransmitter agent
- pharmaceutical
- psychotropic drug
- tranquilizing drug
- vasoconstrictor agent
- xenobiotic
Pharmacology
Atomoxetine is a Norepinephrine Reuptake Inhibitor. The mechanism of action of atomoxetine is as a Norepinephrine Uptake Inhibitor.
How it is made
Preparation (stereochemistry unspecified): B. B. Molloy, K. K. Schmiegel, German patent 2500110, eidem, United States of America patent 4314081 (1975, 1982 both to Lilly). Preparation of (R)-form: B. J. Foster, E. R. Lavagnino, European Patent Office patent 52492 (1982 to Lilly).
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Atomoxetine is traded under.
Amino-naphthols and other amino-phenols, other than those containing more than one kindโฆ
- India * partner reported25.8%
- United States14.4%
- South Korea7.6%
* Partner reported figures, a lower bound.
The HS code shown for Atomoxetine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Atomoxetine, based on the data on this page
What is Atomoxetine?
What is the CAS number of Atomoxetine?
What is the molecular formula and weight of Atomoxetine?
What is Atomoxetine used for?
Is Atomoxetine hazardous?
What is the HS code of Atomoxetine?
Where can I buy Atomoxetine?
Where can I buy Atomoxetine in India?
What is the price of Atomoxetine?
Guides for buyers
Practical guides that help when you source, ship or handle Atomoxetine
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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