EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:183637 - ketanserin tartrate
| Formula | C22H22FN3O3.C4H6O6 |
| Net Charge | 0 |
| Average Mass | 545.520 |
| Monoisotopic Mass | 545.18096 |
| SMILES | O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)nc3ccccc3c2=O)CC1 |
| InChI | InChI=1S/C22H22FN3O3.C4H6O6/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-8,16H,9-14H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 |
| InChIKey | KMTLTEVOQLMYRS-LREBCSMRSA-N |
| Roles Classification |
|---|
| Biological Roles: | serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. |
| Applications: | serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ketanserin tartrate (CHEBI:183637) has part ketanserin(1+) (CHEBI:183638) |
| ketanserin tartrate (CHEBI:183637) has role antihypertensive agent (CHEBI:35674) |
| ketanserin tartrate (CHEBI:183637) has role cardiovascular drug (CHEBI:35554) |
| ketanserin tartrate (CHEBI:183637) has role geroprotector (CHEBI:176497) |
| ketanserin tartrate (CHEBI:183637) has role serotonergic antagonist (CHEBI:48279) |
| ketanserin tartrate (CHEBI:183637) has role α-adrenergic antagonist (CHEBI:37890) |
| ketanserin tartrate (CHEBI:183637) is a tartrate salt (CHEBI:50562) |
| IUPAC Name |
|---|
| (2R,3R)-2,3-dihydroxybutanedioic acid - 3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}quinazoline-2,4(1H,3H)-dione |
| Synonyms | Source |
|---|---|
| 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione (2R,3R)-2,3-dihydroxybutanedioate | ChEBI |
| 3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,4[1H,3H]-quinazolinedione tartrate | ChEBI |
| KJK 945 | ChEBI |
| KJK-945 | ChemIDplus |
| R41468 tartrate | ChEBI |
| R 49945 | ChemIDplus |
| Brand Name | Source |
|---|---|
| Sufrexal | KEGG DRUG |
| Manual Xrefs | Databases |
|---|---|
| D08099 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| CAS:83846-83-7 | ChemIDplus |
| Citations |
|---|