Tomoxetine (CAS 83015-26-3) — formula C17H21NO, molecular weight 255.35; category organic chemicals.
| CAS Number | 83015-26-3 |
|---|---|
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.35 |
| Melting Point | 161-165 ºC |
| Boiling Point | 64-65 ºC at 0.760 mmHg |
| LogP | 0.676 |
| Applications | Uses: MEDICATION, Adrenergic Uptake Inhibitors, Use (kg, approx.) in Germany (2009): >250, Consumption (g per capita, approx.) in Germany (2009): 0.00305, Calculated removal (%): 76.8, 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., Methods of Manufacturing: 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)., Formulations, Preparations: Table: Atomoxetine Hydrochloride Preparations [Table#6934] |
| Category | Organic Chemicals |
Documented applications: Uses: MEDICATION, Adrenergic Uptake Inhibitors, Use (kg, approx.) in Germany (2009): >250, Consumption (g per capita, approx.) in Germany (2009): 0.00305, Calculated removal (%): 76.8, 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., Methods of Manufacturing: 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)., Formulations, Preparations: Table: Atomoxetine Hydrochloride Preparations [Table#6934].
Tomoxetine is a carbon-based organic compound with CAS registry number 83015-26-3 and molecular formula C17H21NO (molecular weight 255.35), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 83015-26-3
Its molecular formula C17H21NO comprises 17 C, 21 H, 1 N, 1 O atoms.
Also known as: Tomoxetine · 托莫西汀
Category: organic chemicals
The CAS registry number of Tomoxetine is 83015-26-3.
Molecular formula C17H21NO, molecular weight 255.35.
It is also registered under: Tomoxetine, 托莫西汀.
Recorded applications: Uses: MEDICATION, Adrenergic Uptake Inhibitors, Use (kg, approx.) in Germany (2009): >250, Consumption (g per capita, approx.) in Germany (2009): 0.00305, Calculated removal (%): 76.8, 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., Methods of Manufacturing: 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)., Formulations, Preparations: Table: Atomoxetine Hydrochloride Preparations [Table#6934].
Category: Organic Chemicals.
Independent reference data for Tomoxetine (CAS 83015-26-3), compiled from public chemistry databases.
| 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 |
| 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 |
| 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 |
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)
| Reported hazard statements | H301, H331 (33.3%), H318 (66.7%), H361 (66.7%), H411 (66.7%) |
|---|
H301+H331 (33.3%): Toxic if swallowed or if inhaled [Danger Acute toxicity, oral; acute toxicity, inhalation]
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 托莫西汀