Pralidoxime chlorideProduct ingredient for Pralidoxime

Name
Pralidoxime chloride
Drug Entry
Pralidoxime

Pralidoxime is an antidote to organophosphate pesticides and chemicals. Organophosphates bind to the esteratic site of acetylcholinesterase, which results initially in reversible inactivation of the enzyme. If given within 24 hours,after organophosphate exposure, pralidoxime reactivates the enzyme cholinesterase by cleaving the phosphate-ester bond formed between the organophosphate and acetylcholinesterase.

Accession Number
DBSALT000242
Structure
Synonyms
Pralidoxime chloride
UNII
38X7XS076H
CAS Number
51-15-0
Weight
Average: 172.612
Monoisotopic: 172.040340627
Chemical Formula
C7H9ClN2O
InChI Key
HIGSLXSBYYMVKI-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
IUPAC Name
2-[(E)-(hydroxyimino)methyl]-1-methylpyridin-1-ium chloride
SMILES
[Cl-].C[N+]1=C(\C=N\O)C=CC=C1
KEGG Drug
D00469
PubChem Compound
45006123
ChemSpider
10481993
ChEBI
8355
ChEMBL
CHEMBL748
Wikipedia
Pralidoxime
Predicted Properties
PropertyValueSource
Water Solubility0.188 mg/mLALOGPS
logP-2.7ALOGPS
logP-3.3Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)7.63Chemaxon
pKa (Strongest Basic)-1.1Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area36.47 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity40.33 m3·mol-1Chemaxon
Polarizability14.39 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon