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CHEBI:177647 - Rolofylline
| Formula | C20H28N4O2 |
| Net Charge | 0 |
| Average Mass | 356.470 |
| Monoisotopic Mass | 356.22123 |
| SMILES | CCCn1c(=O)c2nc(C34CC5CC(CC3C5)C4)nc2n(CCC)c1=O |
| InChI | InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22) |
| InChIKey | PJBFVWGQFLYWCB-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | Sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| Roles Classification |
|---|
| 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) |
| Rolofylline (CHEBI:177647) has role cardiovascular drug (CHEBI:35554) |
| Rolofylline (CHEBI:177647) is a oxopurine (CHEBI:25810) |
| IUPAC Name |
|---|
| 1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione |
| INNs | Source |
|---|---|
| rolofyllina | WHO MedNet |
| rolofylline | WHO MedNet |
| Synonyms | Source |
|---|---|
| KW 3902 | ChEMBL |
| KW-3902 | ChEMBL |
| KW3902 | ChEMBL |
| MK-7418 | ChEMBL |
| Citations |
|---|