nalbuphine

Ligand id: 1663

Name: nalbuphine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 73.16
Molecular weight 357.19
XLogP 1.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1979))
IUPAC Name
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
International Nonproprietary Names
INN number INN
2623 nalbuphine
Synonyms
Nubain®
Database Links
CAS Registry No. 20594-83-6 (source: Scifinder)
ChEBI CHEBI:7454
ChEMBL Ligand CHEMBL895
DrugBank Ligand DB00844
GtoPdb PubChem SID 135650680
PubChem CID 5311304
Search Google for chemical match using the InChIKey NETZHAKZCGBWSS-CEDHKZHLSA-N
Search Google for chemicals with the same backbone NETZHAKZCGBWSS
Search PubMed clinical trials nalbuphine
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Search UniChem for chemical match using the InChIKey NETZHAKZCGBWSS-CEDHKZHLSA-N
Search UniChem for chemicals with the same backbone NETZHAKZCGBWSS
Wikipedia Nalbuphine
Comments
Nalbuphine is a semi-synthetic opioid drug which acts as a mixed opioid agonist-antagonist. It is chemically related to the opioid antagonists, naloxone and naltrexone, and the potent opioid analgesic, oxymorphone.