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Samidorphan (hydrochloride)

CAT: 0804-HY-123689A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123689A-01Size:1 mg
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Description
Samidorphan hydrochloride is an orally active opioid system modulator that has a high affinity for binding with μ‐opioid, κ‐opioid, and δ‐opioid receptors. Samidorphan hydrochloride acts as an antagonist at μ‐opioid receptors and acts as a partial agonist at k-opioid and δ‐opioid receptors. Samidorphan hydrochloride primarily acts as an opioid receptor antagonist in vivo. Samidorphan can improve the behavior of depressed animals[1].
CAS Number
2328045-02-7
Product Name Alternative
ALKS-33 (hydrochloride) ; RDC-0313 (hydrochloride)
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/samidorphan-hydrochloride.html
Smiles
O[C@@]12[C@]3(CC(CC2)=O)C4=C(O)C(C(N)=O)=CC=C4C[C@@]1([H])N(CC3)CC5CC5.Cl
Molecular Formula
C21H27ClN2O4
Molecular Weight
406.90
References & Citations
[1]McElroy SL, et al. A placebo-controlled pilot study of the novel opioid receptor antagonist ALKS-33 in binge eating disorder. Int J Eat Disord. 2013 Apr;46 (3) :239-45.|[2]Mark S. Todtenkopf, et al. Buprenorphine in Combination with Samidorphan (ALKS 33) Results in Antidepressive-Like Effects in Two Distinct Rat Models. Eur Neuropsychopharmacol. 2014;24aSuppl 2) :S366.|[3]Rehan ST, et al. Samidorphan/olanzapine combination therapy for schizophrenia: Efficacy, tolerance and adverse outcomes of regimen, evidence-based review of clinical trials. Ann Med Surg (Lond) . 2022 Jun 30;79:104115.|[4]Shravni V, et al. Comparative Effects of Buprenorphine and Samidorphan on Locomotor Behavior in vivo. Scientific Research Journal of Pharmacy 2021, Volume 1, Issue: 1 (June-July) .|[5]Smith KL, et al. Opioid system modulators buprenorphine and samidorphan alter behavior and extracellular neurotransmitter concentrations in the Wistar Kyoto rat. Neuropharmacology. 2019 Mar 1;146:316-326.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Samidorphan HCl

See also: Olanzapine (annotation moved to); Olanzapine Pamoate (annotation moved to); Symbyax (annotation moved to) ... View More ...

CAS Number2328045-02-7
PubChem CID44592018
IUPAC Name(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dihydroxy-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide;hydrochloride
Molecular FormulaC21H27ClN2O4
Molecular Weight406.9
Topological Polar Surface Area104
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity665
SMILES
C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O.Cl
InChI
InChI=1S/C21H26N2O4.ClH/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26);1H/t16-,20-,21-;/m1./s1
InChIKey
LRMKVAABEFFIDK-GPCMIKKWSA-N
Chemical Structure
2D Structure
2D structure of Samidorphan HCl
CAS: 2328045-02-7
CID: 44592018
Formula: C21H27ClN2O4
MW: 406.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass406.1659350
Monoisotopic Mass406.1659350
Topological Polar Surface Area104 Ų
Heavy Atom Count28
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes