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CHEBI:77423 - escitalopram hydrobromide
| Formula | C20H21FN2O.HBr |
| Net Charge | 0 |
| Average Mass | 405.311 |
| Monoisotopic Mass | 404.08995 |
| SMILES | Br.CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 |
| InChI | InChI=1S/C20H21FN2O.BrH/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;/h4-9,12H,3,10-11,14H2,1-2H3;1H/t20-;/m0./s1 |
| InChIKey | WIHMBLDNRMIGDW-BDQAORGHSA-N |
| Roles Classification |
|---|
| Biological Role: | serotonin uptake inhibitor A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent. |
| Applications: | serotonin uptake inhibitor A compound that specifically inhibits the reuptake of serotonin in the brain. This increases the serotonin concentration in the synaptic cleft which then activates serotonin receptors to a greater extent. antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| escitalopram hydrobromide (CHEBI:77423) has role antidepressant (CHEBI:35469) |
| escitalopram hydrobromide (CHEBI:77423) has role serotonin uptake inhibitor (CHEBI:50949) |
| escitalopram hydrobromide (CHEBI:77423) is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide (CHEBI:77420) |
| escitalopram hydrobromide (CHEBI:77423) is enantiomer of (R)-citalopram hydrobromide (CHEBI:77422) |
| Incoming Relation(s) |
| citalopram hydrobromide (CHEBI:3724) has part escitalopram hydrobromide (CHEBI:77423) |
| (R)-citalopram hydrobromide (CHEBI:77422) is enantiomer of escitalopram hydrobromide (CHEBI:77423) |
| IUPAC Name |
|---|
| (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile hydrobromide |
| Synonyms | Source |
|---|---|
| escitalopram·HBr | ChEBI |
| escitalopram HBr | ChEBI |
| 3-[(1S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropan-1-aminium bromide | IUPAC |
| (S)-citalopram hydrobromide | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| US2005137255 | Patent |
| WO2004056791 | Patent |
| EP1578738 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:11324772 | Reaxys |