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CHEBI:757064 - selatogrel
| Formula | C28H39N6O8P |
| Net Charge | 0 |
| Average Mass | 618.628 |
| Monoisotopic Mass | 618.25670 |
| SMILES | CCCCOC(=O)N1CCN(C(=O)[C@H](CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 |
| InChI | InChI=1S/C28H39N6O8P/c1-3-4-16-42-28(37)33-14-12-32(13-15-33)27(36)23(19-43(38,39)40)30-26(35)22-17-24(34-11-10-21(18-34)41-2)31-25(29-22)20-8-6-5-7-9-20/h5-9,17,21,23H,3-4,10-16,18-19H2,1-2H3,(H,30,35)(H2,38,39,40)/t21-,23-/m0/s1 |
| InChIKey | FYXHWMQPCJOJCH-GMAHTHKFSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Application: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| selatogrel (CHEBI:757064) has role cardiovascular drug (CHEBI:35554) |
| selatogrel (CHEBI:757064) is a N-acyl-amino acid (CHEBI:51569) |
| INN | Source |
|---|---|
| selatogrel | WHO MedNet |
| Synonym | Source |
|---|---|
| ACT-246475 | ChEMBL |