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Nalbuphine Hydrochloride

CAT: 1596-AR-N09018-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N09018-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23277-43-2
Synonyms
(4R,4aS,7S,7aR,12bS) -3- (cyclobutylmethyl) -1,2,3,4,5,6,7,7a-octahydro-4aH-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol hydrochloride
Molecular Formula
C21H27NO4 :HCl
Molecular Weight
357.5 : 36.5
API Name
Nalbuphine

Chemical Information

Nalbuphine Hydrochloride

Nalbuphine Hydrochloride is the hydrochloride salt form of nalbuphine, a synthetic phenanthrene opioid with opiate agonist and antagonist effects, used to treat moderate to severe pain and provide preoperative and postoperative analgesia and sedation. Nalbuphine hydrochloride binds to kappa-, mu- and delta-opioid receptors but not to sigma-opioid receptors. This opioid exerts its analgesic actions primarily through kappa-opioid-receptor agonism and partially through mu-opioid receptor agonism.

CAS Number23277-43-2
PubChem CID5360733
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;hydrochloride
Molecular FormulaC21H28ClNO4
Molecular Weight393.9
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity597
SMILES
C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl
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
InChIKey
YZLZPSJXMWGIFH-BCXQGASESA-N
Chemical Structure
2D Structure
2D structure of Nalbuphine Hydrochloride
CAS: 23277-43-2
CID: 5360733
Formula: C21H28ClNO4
MW: 393.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass393.1706861
Monoisotopic Mass393.1706861
Topological Polar Surface Area73.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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