CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
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Melting Point | 147-152C |
Solubility | Sparingly soluble |
LogP | 1.34 |
Stability/Shelf Life | Stable under recommended storage conditions. /Escitalopram oxalate/ |
Optical Rotation | Specific optical rotation: +12.33 deg at 25 °C/D (c = 1 in methanol) |
Dissociation Constants | 9.5 |
Other Experimental Properties | Fine white to slightly yellow powder. Crystals from acetone. MP: 147-148 °C. Specific optical rotation: +12.31 deg at 25 °C/D (c = 1 in methanol). Freely soluble in methanol, DMSO; soluble in isotonic saline; sparingly soluble in water, ethanol. slightly soluble in ethyl acetate; insoluble in heptane /Escitalopram oxalate/ |
COMPUTED DESCRIPTORS
Molecular Weight | 324.4 g/mol |
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XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 5 |
Exact Mass | 324.16379146 g/mol |
Monoisotopic Mass | 324.16379146 g/mol |
Topological Polar Surface Area | 36.3 Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 466 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Escitalopram is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. It has a role as an antidepressant and an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor. It is a conjugate base of an escitalopram(1+). It is an enantiomer of a (R)-citalopram.