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CHEBI:50861 - treprostinil
| Formula | C23H34O5 |
| Net Charge | 0 |
| Average Mass | 390.520 |
| Monoisotopic Mass | 390.24062 |
| SMILES | [H][C@@]12Cc3c(cccc3OCC(=O)O)C[C@]1([H])[C@@H](CC[C@@H](O)CCCCC)[C@H](O)C2 |
| InChI | InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1 |
| InChIKey | PAJMKGZZBBTTOY-ZFORQUDYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | MetaboLights (MTBLS90) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | human blood serum metabolite Any metabolite (endogenous or exogenous) found in human blood serum samples. vitamin K antagonist A class of anticoagulants which act by inhibiting the action of vitamin K. |
| Applications: | hypoglycemic agent A drug which lowers the blood glucose level. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. anticoagulant An agent that prevents blood clotting. antifibrotic agent Any agent which acts to reduce fibrosis. vasodilator agent A drug used to cause dilation of the blood vessels. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. platelet aggregation inhibitor A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| treprostinil (CHEBI:50861) has role anticoagulant (CHEBI:50249) |
| treprostinil (CHEBI:50861) has role antifibrotic agent (CHEBI:233423) |
| treprostinil (CHEBI:50861) has role antihypertensive agent (CHEBI:35674) |
| treprostinil (CHEBI:50861) has role cardiovascular drug (CHEBI:35554) |
| treprostinil (CHEBI:50861) has role human blood serum metabolite (CHEBI:85234) |
| treprostinil (CHEBI:50861) has role hypoglycemic agent (CHEBI:35526) |
| treprostinil (CHEBI:50861) has role platelet aggregation inhibitor (CHEBI:50427) |
| treprostinil (CHEBI:50861) has role vasodilator agent (CHEBI:35620) |
| treprostinil (CHEBI:50861) has role vitamin K antagonist (CHEBI:55347) |
| treprostinil (CHEBI:50861) is a carbotricyclic compound (CHEBI:38032) |
| treprostinil (CHEBI:50861) is a carboxylic acid (CHEBI:33575) |
| Incoming Relation(s) |
| treprostinil sodium (CHEBI:50863) has part treprostinil (CHEBI:50861) |
| IUPAC Name |
|---|
| ({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid |
| INNs | Source |
|---|---|
| treprostinil | ChEBI |
| tréprostinil | ChEBI |
| treprostinilo | ChEBI |
| treprostinilum | ChEBI |
| Synonyms | Source |
|---|---|
| 15-AU-81 | ChEMBL |
| L-606 | ChEMBL |
| L606 | ChEMBL |
| LRX -15 | ChEMBL |
| Rumodolin | ChEMBL |
| Tresprostinil | ChEMBL |
| Brand Names | Source |
|---|---|
| Tyvaso | ChEMBL |
| Tyvaso dpi | ChEMBL |
| Registry Numbers | Sources |
|---|---|
| CAS:81846-19-7 | ChemIDplus |
| Citations |
|---|