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Pralidoxime

CAT: 0013-GTR19212424-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212424-03Size:100 mg
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Description
Pralidoxime is a research-grade reactivator of organophosphate-inhibited acetylcholinesterase (AChE), acting via nucleophilic attack on the phosphorous moiety. It is a critical tool for studying antidotal mechanisms in both in vitro enzymatic assays and in vivo models of nerve agent poisoning.
CAS Number
6735-59-7
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (=NO) C=1[N+] (C) =CC=CC1
Molecular Formula
C7H9N2O
Molecular Weight
137.16
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pralidoxime

Pralidoxime is a pyridinium ion that is 1-methylpyridinium substituted by a (hydroxyimino)methyl group at position 2. It has a role as an antidote to sarin poisoning, a cholinergic drug, a cholinesterase reactivator and an antidote to organophosphate poisoning.

CAS Number6735-59-7
PubChem CID135398747
IUPAC Name(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
Molecular FormulaC7H9N2O+
Molecular Weight137.16
XLogP1
Topological Polar Surface Area36.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge1
Complexity125
SMILES
C[N+]1=CC=CC=C1/C=N/O
InChI
InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
InChIKey
JBKPUQTUERUYQE-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Pralidoxime
CAS: 6735-59-7
CID: 135398747
Formula: C7H9N2O+
MW: 137.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.16
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass137.071487915
Monoisotopic Mass137.071487915
Topological Polar Surface Area36.5 Ų
Heavy Atom Count10
Formal Charge1
Complexity125
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-B1738Pralidoxime
592128Pralidoxime iodide
318556Pralidoxime Chloride
MBS5813002Pralidoxime mesylate
HY-B1738BPralidoxime (methanesulfonate)
HY-B1200-01Pralidoxime (chloride)
HY-B1738A-01Pralidoxime (iodide)

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