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Asoxime (dichloride)

CAT: 0804-HY-106901A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-106901A-01Size:5 mg
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Description
Asoxime dichloride (HI-6) is an antagonist to acetylcholine receptors (AChRs) including the nicotinic receptor, α7 nAChR. Asoxime dichloride involves in modulating immunity response. Asoxime dichloride (HI-6) can be used as an antigen and improves vaccination efficacy in the nervous system[1].
CAS Number
34433-31-3
Product Name Alternative
HI-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
NAChR
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/asoxime-dichloride.html
Purity
98.47
Solubility
10 mM in DMSO
Smiles
O/N=C/C1=CC=CC=[N+]1COC[N+]2=CC=C(C(N)=O)C=C2.[Cl-].[Cl-]
Molecular Formula
C14H16Cl2N4O3
Molecular Weight
359.21
Precautions
H302, H315, H319, H335
References & Citations
[1]Pohanka M, et al. HI-6 modulates immunization efficacy in a BALB/c mouse model.Environ Toxicol Pharmacol. 2013 Nov;36 (3) :801-6.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Asoxime chloride
CAS Number34433-31-3
PubChem CID135444627
IUPAC Name1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide dichloride
Molecular FormulaC14H16Cl2N4O3
Molecular Weight359.2
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity356
SMILES
C1=CC=[N+](C(=C1)/C=N/O)COC[N+]2=CC=C(C=C2)C(=O)N.[Cl-].[Cl-]
InChI
InChI=1S/C14H14N4O3.2ClH/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20;;/h1-9H,10-11H2,(H-,15,19);2*1H
InChIKey
QELSIJXWEROXOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Asoxime chloride
CAS: 34433-31-3
CID: 135444627
Formula: C14H16Cl2N4O3
MW: 359.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight359.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass358.0599458
Monoisotopic Mass358.0599458
Topological Polar Surface Area92.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes