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CHEBI:751608 - naldemedine
| Formula | C32H34N4O6 |
| Net Charge | 0 |
| Average Mass | 570.646 |
| Monoisotopic Mass | 570.24783 |
| SMILES | [H][C@@]12Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)[C@]([H])(C4)[C@]3(O)CC(C(=O)NC(C)(C)c1nc(-c3ccccc3)no1)=C2O |
| InChI | InChI=1S/C32H34N4O6/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39)/t22-,26+,31+,32-/m1/s1 |
| InChIKey | AXQACEQYCPKDMV-RZAWKFBISA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | laxative An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| naldemedine (CHEBI:751608) has role laxative (CHEBI:50503) |
| naldemedine (CHEBI:751608) is a morphinane alkaloid (CHEBI:25418) |
| INN | Source |
|---|---|
| naldemedina | WHO MedNet |
| Synonyms | Source |
|---|---|
| Naldemedine | ChEMBL |
| S-297995 | ChEMBL |
| Citations |
|---|