Basic Information
ID DDInter1257
Drug Type small molecule
Molecular Formula C21H27NO4
Molecular Weight 357.443
CAS Number 20594-83-6
Description A narcotic used as a pain medication. It appears to be an agonist at kappa opioid receptors and an antagonist or partial agonist at mu opioid receptors. Nalbuphine is the only opioid analgesic that is not a controlled substance in the United States.
ATC Classification N02AF02
IUPAC Name (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,14,17-triol
InChI NETZHAKZCGBWSS-CEDHKZHLSA-N
Canonical SMILES O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5
Useful Links DrugBank ChEBI PubChem Substance KEGG Compound KEGG Drug ChemSpider BindingDB PharmGKB Therapeutic Targets Database Guide to Pharmacology Wikipedia ChEMBL ZINC
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