2-Hydroxyiminomethyl-N-methylpyridinium methanesulphonate
Basic information
- CAS
154-97-2- Standard SMILES
CS(=O)(=O)[O-].C[n+]1ccccc1C=NO- InChIKey
WWZYJJGFUIAWNW-UHFFFAOYSA-N- Molecular formula
- C8H12N2O4S
- Average molar mass
- 232.26 g/mol
- Monoisotopic mass
- 232.05177804
Overview
See also: Pralidoxime Mesylate (preferred); Pralidoxime (has active moiety).
Names & identifiers
- Preferred name
- 2-Hydroxyiminomethyl-N-methylpyridinium methanesulphonate
- IUPAC
- methanesulfonate;N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
- English name
- 2-Pyridinealdoxime methyl methanesulfonate
- Molecular formula
- C8H12N2O4S
- Molecular weight
- 232.26
Names & synonyms
2-Hydroxyiminomethyl-N-methylpyridinium methanesulphonateSCHEMBL123371orb1739019CHEMBL21047392-[(Hydroxyimino)methyl]-1-methylpyridin-1-ium methanesulfonateMethanesulfonate;N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylaminep2scontrathionEinecs 205-839-8pralidoximemesylatepralidoxime mesilate2-pammethanesulfonate
Show more names
pralidoximemethosulfateprotopammethanesulfonatePralidoxime methylsulfatepralidoximemethanesulfonate
Database identifiers
- CAS
154-97-2- PubChem CID
- 65349
- DTXSID
DTXSID40858961- ChEMBL
CHEMBL2104739
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 155 ° · 155°
- storage temp.
- 2 · 2-8°C
- pka
- 8 · 8.0(at 25℃)
- FDA UNII
- 45 CO7XIN2K · 45CO7XIN2K
- Toxicity
- 50 in · LD50 in mice (mg/kg): 118-122 i.v., 216 i.p., 3700 orally; in rats (mg/kg): 109 i.v., 262 i.p. (Ellis, Wills)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice (mg/kg): 118-122 i.v., 216 i.p., 3700 orally; in rats (mg/kg): 109 i.v., 262 i.p. (Ellis, Wills)
Chemistry & industry
Applications
UsesCholinesterase reactivator.
Additional notes
DefinitionChEBI: Pralidoxime mesylate is a pyridinium salt and a methanesulfonate salt. It has a role as a cholinesterase reactivator and a cholinergic drug. It contains a pralidoxime.
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Compound notes
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