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Naloxone methiodide

CAT: 0804-HY-137279Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137279Size:1 mg
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Description
Naloxone methiodide is a peripherally restricted, nonselective, and competitive opioid receptor antagonist. Naloxone methiodide does not penetrate the blood-brain barrier[1][2].
CAS Number
93302-47-7
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/naloxone-methiodide.html
Purity
99.7
Solubility
DMSO : 250 mg/mL (ultrasonic) |H2O : 25 mg/mL (ultrasonic)
Smiles
O[C@@]1(CCC2=O)[C@@]([C@@]2([H])OC3=C4O)(CC5)C3=C(C=C4)C[C@H]1[N@@+]5(C)CC=C.[I-]
Molecular Formula
C20H24INO4
Molecular Weight
469.31
Precautions
H315, H319, H335
References & Citations
[1]Basso L, et al. TRPV1 promotes opioid analgesia during inflammation. Sci Signal. 2019;12 (575) :eaav0711. Published 2019 Apr 2. |[2]Basso L, et al. Endogenous control of inflammatory visceral pain by T cell-derived opioids in IL-10-deficient mice. Neurogastroenterol Motil. 2020;32 (2) :e13743.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Naloxone Methiodide
CAS Number93302-47-7
PubChem CID16219719
IUPAC Name(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one iodide
Molecular FormulaC20H24INO4
Molecular Weight469.3
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity637
SMILES
C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C.[I-]
InChI
InChI=1S/C20H23NO4.HI/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12;/h3-5,15,18,24H,1,6-11H2,2H3;1H/t15-,18+,19+,20-,21?;/m1./s1
InChIKey
ICONPJDAXITIPI-UXYWFNEESA-N
Chemical Structure
2D Structure
2D structure of Naloxone Methiodide
CAS: 93302-47-7
CID: 16219719
Formula: C20H24INO4
MW: 469.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass469.07501
Monoisotopic Mass469.07501
Topological Polar Surface Area66.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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