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CHEBI:7455 - nalbuphine hydrochloride

ChEBI IDCHEBI:7455
ChEBI Namenalbuphine hydrochloride
Stars
Last Modified8 December 2008
DownloadsMolfile
FormulaH.C21H27NO4.Cl
Net Charge0
Average Mass393.911
Monoisotopic Mass393.17069
SMILESOc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314.[Cl-].[H+]
InChIInChI=1S/C21H27NO4.ClH/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;1H/t15-,16+,19-,20-,21+;/m0./s1
InChIKeyYZLZPSJXMWGIFH-BCXQGASESA-N
ChEBI Ontology
Outgoing Relation(s)
nalbuphine hydrochloride (CHEBI:7455) has part nalbuphine (CHEBI:7454)
nalbuphine hydrochloride (CHEBI:7455) is a hydrochloride (CHEBI:36807)
IUPAC Name 
17-cyclobutylmethyl-4,5α-epoxymorphinan-3,6α,14-triol hydrochloride
Synonyms  Source
N-Cyclobutylmethyl-14-hydroxydihydronormorphine hydrochlorideChemIDplus
Nalbufina clorhidratoChemIDplus
Nalbuphine HClChemIDplus
Manual XrefsDatabases
D00843KEGG DRUG
DB00844DrugBank
Registry NumbersSources
Beilstein:6761124Beilstein
CAS:23277-43-2ChemIDplus