small molecule

Nalbuphine

Synonyms/Brands: nubai, Nalbuphin, Nalbufina, Nalbuphine, Nalbuphinum, nubain injection 10mg/ml, N-Cyclobutylmethyl-4,5alpha-epoxy-3,6alpha,14-morphinantriol

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.

Molecular Formula: C₂₁H₂₇NO₄

Molecular Weight:: 357.4434

CAS:: 20594-83-6

ATC:: N02AF02

InChiKey:: NETZHAKZCGBWSS-CEDHKZHLSA-N

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

SMILES:: O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5

IUPAC Name:: (1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0,.0,.0,]octadeca-7,9,11(18)-triene-10,14,17-triol

DrugBank ChEMBL PubChem ChEBI KEGG Drug

Download Curated Data for this Chemical

834

Interactors 3
Chemical Interactions 22
Network

Chemical Summary

Nalbuphine