CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| 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 |
|---|---|
| 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.