CHEBI:7455 - nalbuphine hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nalbuphine hydrochloride
ChEBI ID CHEBI:7455
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C21H27NO4.HCl
C21H28ClNO4
Net Charge 0
Average Mass 393.90406
Monoisotopic Mass 393.17069
InChI InChI=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
InChIKey YZLZPSJXMWGIFH-BCXQGASESA-N
SMILES [H+].[Cl-].O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
ChEBI Ontology
Outgoing 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 Sources
N-Cyclobutylmethyl-14-hydroxydihydronormorphine hydrochloride ChemIDplus
Nalbufina clorhidrato ChemIDplus
Nalbuphine HCl ChemIDplus
Manual Xrefs Databases
D00843 KEGG DRUG
DB00844 DrugBank
View more database links
Registry Numbers Types Sources
23277-43-2 CAS Registry Number ChemIDplus
6761124 Beilstein Registry Number Beilstein
Last Modified
08 December 2008