IUPAC name
(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0
SMILES
O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5
Compound class
Analgesics; Analgesics, Opioid; Narcotics; Narcotic Antagonists; Nervous System; Opioids; Morphinan Derivatives;
Therapeutic area
For the relief of moderate to severe pain.
Common name
Nalbuphine
IUPAC name
(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0
SMILES
O[C@H]1CC[C@@]2(O)[C@H]3CC4=CC=C(O)C5=C4[C@@]2(CCN3CC2CCC2)[C@H]1O5
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
FORMULA
C21H27NO4
Common name
Nalbuphine
IUPAC name
(1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0
Molecular weight
357.443
clogP
2.286
clogS
-2.733
HBond Acceptor
5
HBond Donor
3
Total Polar Surface Area
73.16
Number of Rings
6
Rotatable Bond
2
