CHEBI:7454 - nalbuphine

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ChEBI Name nalbuphine
ChEBI ID CHEBI:7454
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C21H27NO4
Net Charge 0
Average Mass 357.44342
Monoisotopic Mass 357.194
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
SMILES O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
Roles Classification
Biological Role(s): mu-opioid receptor antagonist

opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
Application(s): mu-opioid receptor antagonist

opioid analgesic
A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood.
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ChEBI Ontology
Outgoing nalbuphine (CHEBI:7454) has parent hydride morphinan (CHEBI:35649)
nalbuphine (CHEBI:7454) has role μ-opioid receptor antagonist (CHEBI:50137)
nalbuphine (CHEBI:7454) has role opioid analgesic (CHEBI:35482)
nalbuphine (CHEBI:7454) is a organic heteropentacyclic compound (CHEBI:38164)
Incoming nalbuphine hydrochloride (CHEBI:7455) has part nalbuphine (CHEBI:7454)
IUPAC Name
17-cyclobutylmethyl-4,5α-epoxymorphinan-3,6α,14-triol
INNs Sources
nalbufina WHO MedNet
nalbuphine WHO MedNet
nalbuphine ChemIDplus
nalbuphinum WHO MedNet
Synonyms Sources
N-cyclobutylmethyl-4,5α-epoxy-3,6α,14-morphinantriol ChemIDplus
Nalbuphine KEGG COMPOUND
Database Links Databases
1874 DrugCentral
C07251 KEGG COMPOUND
D08246 KEGG DRUG
DB00844 DrugBank
GB1119270 Patent
LSM-3477 LINCS
Nalbuphine Wikipedia
US3393197 Patent
View more database links
Registry Numbers Types Sources
20594-83-6 CAS Registry Number ChemIDplus
4566620 Beilstein Registry Number Beilstein
Last Modified
22 February 2017