Escitalopram Oxalate
(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
Also Known As: Escitalopram oxalate|Lexapro|Escitalopram|Cipralex|(S)-Citalopram Oxalate|Escitslopram|Seroplex|Esertia|Gaudium|Entact|Citalopram Oxalate|Escitalopram (oxalate)|Cipra-Pro|Escitalopram Oral|Escitalopramoxalate|(S)-(+)Citalopram oxalate|Lexapro (TN)|Escitalopram (as oxalate)|(R)-Citalopram Oxalate|Citalopram oxalate, (s)-|Escitalopram oxalate CRS|(S)-(+)-Citalopram Oxalate|(S)-Escitalopram Oxalate|Escitalopram oxalate [USAN]|Escitalopram Oral Solution|S-(+)-Citalopram oxalate|Citalopram Oxalate S-Isomer|cc-372|SPECTRUM1505216|(+)-(S)-Citalopram oxalate|Lu 26-054-0|MLD-55|Lu-26-054-0
| Molecular Formula | C22H23FN2O5 |
|---|---|
| Molecular Weight | 414.1591 g/mol |
| LogP | 2.96858 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.1591 |
| Monoisotopic Mass | 414.1591 |
| Heavy Atoms | 30 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 219861-53-7 |
|---|---|
| SMILES | CN(C)CCC[C@@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O |
| InChIKey | KTGRHKOEFSJQNS-BDQAORGHSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Escitalopram Oxalate (CAS 219861-53-7), with molecular formula C22H23FN2O5 and molecular weight 414.1591 g/mol. IUPAC: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid.
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