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CHEBI:7454 - nalbuphine
| Formula | C21H27NO4 |
| Net Charge | 0 |
| Average Mass | 357.450 |
| Monoisotopic Mass | 357.19401 |
| SMILES | Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314 |
| InChI | InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1 |
| InChIKey | NETZHAKZCGBWSS-CEDHKZHLSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-opioid receptor |
| Applications: | opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. mu-opioid receptor antagonist Any compound that exhibits antagonist activity at the μ-opioid receptor |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| nalbuphine (CHEBI:7454) has parent hydride morphinan (CHEBI:35649) |
| nalbuphine (CHEBI:7454) has role opioid analgesic (CHEBI:35482) |
| nalbuphine (CHEBI:7454) has role μ-opioid receptor antagonist (CHEBI:50137) |
| nalbuphine (CHEBI:7454) is a organic heteropentacyclic compound (CHEBI:38164) |
| Incoming Relation(s) |
| nalbuphine hydrochloride (CHEBI:7455) has part nalbuphine (CHEBI:7454) |
| IUPAC Name |
|---|
| 17-cyclobutylmethyl-4,5α-epoxymorphinan-3,6α,14-triol |
| INNs | Source |
|---|---|
| nalbuphine | ChemIDplus |
| nalbuphine | WHO MedNet |
| nalbufina | WHO MedNet |
| nalbuphinum | WHO MedNet |
| Synonyms | Source |
|---|---|
| Nalbuphine | KEGG COMPOUND |
| N-cyclobutylmethyl-4,5α-epoxy-3,6α,14-morphinantriol | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:4566620 | Beilstein |
| CAS:20594-83-6 | ChemIDplus |