Tomoxetine

Description

Tomoxetine · CAS 83015-26-3 · C17H21NO. UNII ASW034S0B8. Boiling Point: 64-65 ºC at 0.760 mmHg; Melting Point: 161-165 ºC; Solubility: 27.8.

Identification

CAS Registry Number	83015-26-3
PubChem CID	54841
Molecular formula	C17H21NO
IUPAC name	(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
UNII (FDA)	ASW034S0B8

Computed Descriptors

Molecular Weight	255.35
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	255.162314293
Monoisotopic Mass	255.162314293
Topological Polar Surface Area	21.3
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Boiling Point	64-65 ºC at 0.760 mmHg
Melting Point	161-165 ºC
Solubility	27.8
Solubility	3.90e-03 g/L
LogP	0.676
LogP	3.9
Dissociation Constants	10.1
Dissociation Constants	10.13

Physical description & handling notes

• Solid
• White to practically white solid ... solubility of 27.8 mg/L in water. /Hydrochloride/
• 159.67 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 152.5 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 161.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 159.47 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H301, H331 (33.3%), H318 (66.7%), H361 (66.7%), H411 (66.7%)

Documented Uses

• Use (kg; approx.) in Germany (2009): >250
• Consumption (g per capita; approx.) in Germany (2009): 0.00305
• For the treatment of Attention-Deficit/Hyperactivity Disorder (ADHD) alone or in combination with behavioral treatment, as an adjunct to psychological, educational, social, and other remedial measures.
• 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).
• Atomoxetine is indicated for the treatment of attention deficit hyperactivity disorder (ADHD) in children and adults.
• Atomoxetine is a selective norepinephrine reuptake inhibitor used primarily for therapy of attention deficit hyperactivity disorder. Atomoxetine has been linked to a low rate of serum aminotransferase elevations and to rare cases of acute, clinically apparent liver injury.

Synonyms

Atomoxetine; 83015-26-3; Tomoxetine; (-)-Tomoxetine; Tomoxetina; Tomoxetinum; Tomoxetinum [Latin]; Atomoxetina; ASW034S0B8; methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine; DTXSID9044297; Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gammaR)-; CHEBI:127342; AD313 COMPONENT ATOMOXETINE; AD-313 COMPONENT ATOMOXETINE; Tomoxetinum (Latin)

Frequently Asked Questions

What are the CAS number and molecular formula of Tomoxetine?

CAS 83015-26-3; molecular formula C17H21NO; molecular weight — g/mol.

What other names is Tomoxetine known by?

Atomoxetine, 83015-26-3, Tomoxetine, (-)-Tomoxetine, Tomoxetina, Tomoxetinum.

Is Tomoxetine classified as hazardous?

Hazard statements reported: H301, H331, H318, H361, H411.

What are the key physical properties of Tomoxetine?

Boiling Point: 64-65 ºC at 0.760 mmHg; Melting Point: 161-165 ºC; Solubility: 27.8; Solubility: 3.90e-03 g/L.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.