loading...| Preferred Name | nalbuphine | |
| Synonyms |
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol nalbuphinum nalbufina nalbuphine 17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol Nalbuphine |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_7454 |
|
| alternative term |
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol nalbuphinum nalbufina nalbuphine 17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol Nalbuphine |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB00844 Drug_Central:1874 Patent:US3393197 Wikipedia:Nalbuphine CAS:20594-83-6 KEGG:D08246 KEGG:C07251 LINCS:LSM-3477 Beilstein:4566620 Patent:GB1119270 |
|
| formula |
C21H27NO4 |
|
| has_exact_synonym |
17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol Nalbuphine |
|
| has_obo_namespace |
chebi_ontology |
|
| has_parent_hydride | ||
| has_related_synonym |
N-cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol nalbuphinum nalbufina nalbuphine |
|
| id |
CHEBI:7454 |
|
| in_subset | ||
| 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 |
|
| label |
nalbuphine |
|
| mass |
357.44342 |
|
| monoisotopicmass |
357.19401 |
|
| notation |
CHEBI:7454 |
|
| prefLabel |
nalbuphine |
|
| RO_0000087 | ||
| smiles |
O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45 |
|
| subClassOf |