4-(3,4,5-trimethoxybenzoyl)(2H8)morpholine

• ChemBase ID: 179267
• Molecular Formular: C14H19NO5
• Molecular Mass: 281.30436
• Monoisotopic Mass: 281.12632271
• SMILES: c1(c(c(cc(c1)C(=O)N1CCOCC1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)N1CCOCC1
• InChI: InChI=1S/C14H19NO5/c1-17-11-8-10(9-12(18-2)13(11)19-3)14(16)15-4-6-20-7-5-15/h8-9H,4-7H2,1-3H3
• InChIKey: XWVOEFLBOSSYGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4,5-trimethoxybenzoyl)(^2H₈)morpholine
• IUPAC Traditional name: 4-(3,4,5-trimethoxybenzoyl)(^2H₈)morpholine
• Synonyms: 4-Morpholinyl-d8-(3,4,5-trimethoxyphenyl)methanone; NSC 62939-d8; PS 2383-d8; Opalene-d8; Sedoxazine-d8; 4-(3,4,5-Trimethoxybenzoyl)tetrahydro-1,4-oxazine-d8; Abbott 22370-d8; N-(3,4,5-Trimethoxybenzoyl)tetrahydro-1,4-oxazine-d8; Trifenoxazine-d8; Trimetozin-d8; Trioxazin-d8; Trioxazine-d8; V 7-d8; 4-(3,4,5-Trimethoxybenzoyl)morpholine-d8; Trimetozine-d8

Database IDs

• PubChem SID: 164235177
• PubChem CID: 71752843

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5797237
• LogD (pH = 7.4): 0.579724
• Log P: 0.579724
• Molar Refractivity: 73.3939 cm^3
• Polarizability: 28.113707 Å^3
• Polar Surface Area: 57.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T798202

Labelled Trimetozine. A sedative with mild tranquilizing effects. It has been used therapeutically in the treatment of anxiety. It is also a metabolite of the antisecretory and antiulcer drug Trithiozine.

REFERENCES

• Bojanovsky, J. et al.: Zhur. Nevropatol. Psikh., 67, 900 (1967)
• Pak, Z.P.: Farmakol. Toksikol., 29, 646 (1967)
• Pacifici, G.M. et al.: Eur. J. Drg Metab. Pharmakin., 1, 141 (1967)