(2S)-2-(2-ethoxyphenoxymethyl)morpholine hydrochloride

• ChemBase ID: 179501
• Molecular Formular: C13H20ClNO3
• Molecular Mass: 273.7558
• Monoisotopic Mass: 273.11317119
• SMILES: c1cccc(c1OCC)OC[C@@H]1CNCCO1.Cl
• Canonical SMILES: CCOc1ccccc1OC[C@@H]1CNCCO1.Cl
• InChI: InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m0./s1
• InChIKey: HJOCKFVCMLCPTP-MERQFXBCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(2-ethoxyphenoxymethyl)morpholine hydrochloride
• IUPAC Traditional name: (2S)-2-(2-ethoxyphenoxymethyl)morpholine hydrochloride
• Synonyms: (S)-2-[(2-Ethoxyphenoxy)methyl]morpholine Hydrochloride; (S)-2-(2-Ethoxyphenoxymethyl)tetrahydro-1,4-oxazine Hydrochloride; (S)-Viloxazine Hydrochloride

Database IDs

• CAS Number: 56287-61-7
• PubChem SID: 164235411
• PubChem CID: 12226599

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0954765
• LogD (pH = 7.4): 0.6339135
• Log P: 1.4915744
• Molar Refractivity: 65.2021 cm^3
• Polarizability: 26.06253 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 156-158°C

Safety Information

• Storage Condition: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - V312455

The (S)-isomer of Viloxazine (V312440). Antidepressant.

REFERENCES

• Howe, R., et al.: J. Med. Chem., 19, 1074 (1976)
• Pinder, R.M., et al.: Drugs, 13, 401 (1976)