Nalbuphine hydrochlorideProduct ingredient forNalbuphine
- Name
- Nalbuphine hydrochloride
- Drug Entry
-
Nalbuphine
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.
- Accession Number
- DBSALT000125
- Structure
-
Structure for Nalbuphine hydrochloride (DBSALT000125)
- Synonyms
- Nalbuphine HCl
- UNII
- ZU4275277R
- CAS Number
- 23277-43-2
- Weight
-
Average: 393.904
Monoisotopic: 393.170686096 - Chemical Formula
- C21H28ClNO4
- InChI Key
- YZLZPSJXMWGIFH-BCXQGASESA-N
- InChI
-
InChI=1S/C21H27NO4.ClH/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;1H/t15-,16+,19-,20-,21+;/m0./s1
- 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(18),8,10-triene-10,14,17-triol hydrochloride
- SMILES
-
Cl.[H][C@@]12OC3=C(O)C=CC4=C3[C@@]11CCN(CC3CCC3)[C@]([H])(C4)[C@]1(O)CC[C@]2([H])O
- External Links
-
- PubChem Compound
- 5360733
- ChemSpider
- 4514572
- ChEBI
- 7455
- ChEMBL
- CHEMBL1201132
- Wikipedia
- Nalbuphine
- Predicted Properties
-
Property Value Source Water Solubility 2.09 mg/mL ALOGPS logP 2 ALOGPS logP 1.19 Chemaxon logS -2.2 ALOGPS pKa (Strongest Acidic) 10.39 Chemaxon pKa (Strongest Basic) 9.62 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 73.16 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 97 m3·mol-1 Chemaxon Polarizability 38.69 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon 医学博士DR-like Rule No Chemaxon
