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Pralidoxime

CAT: 0931-T73060-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T73060-03Size:100 mg
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CAS Number
6735-59-7
Target
Others, Cholinesterase (ChE)
Related Pathways
Others, Neuroscience
Bioactivity
Pralidoxime is a potent antidote for organophosphate poisoning, effectively reactivating acetylcholinesterase (AChE) that has been inhibited by nerve agents. It achieves this reactivation through a direct nucleophilic attack of its oxime moiety on the phosphorus center of the bound nerve agent, restoring AChE function.
Smiles
C(=NO)C=1[N+](C)=CC=CC1
Molecular Formula
C7H9N2O
Molecular Weight
137.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
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

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