EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:749220 - escitalopram oxalate
| Formula | C2H2O4.C20H21FN2O |
| Net Charge | 0 |
| Average Mass | 414.433 |
| Monoisotopic Mass | 414.15910 |
| SMILES | CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21.O=C(O)C(=O)O |
| InChI | InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1 |
| InChIKey | KTGRHKOEFSJQNS-BDQAORGHSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Applications: | antispasmodic drug A drug that suppresses spasms. These are usually caused by smooth muscle contraction, especially in tubular organs. The effect is to prevent spasms of the stomach, intestine or urinary bladder. anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| escitalopram oxalate (CHEBI:749220) has role antidepressant (CHEBI:35469) |
| escitalopram oxalate (CHEBI:749220) has role antispasmodic drug (CHEBI:53784) |
| escitalopram oxalate (CHEBI:749220) has role anxiolytic drug (CHEBI:35474) |
| escitalopram oxalate (CHEBI:749220) is a benzenes (CHEBI:22712) |
| escitalopram oxalate (CHEBI:749220) is a organic amino compound (CHEBI:50047) |
| Synonyms | Source |
|---|---|
| Citalopram oxalate, (s)- | ChEMBL |
| Escitalopram (as oxalate) | ChEMBL |
| LU 26-054-0 | ChEMBL |
| LU-26-054-0 | ChEMBL |
| LU-26-054-O | ChEMBL |
| NSC-758934 | ChEMBL |
| Citations |
|---|