1-Methylpyridinium-2-aldoxime Chloride - 10mM in Water , CAS No.51-15-0

CAS: 51-15-0 Cat. No.: M424405 Molecular Weight: 172.61 EC Number: 200-080-9

GRADE & PURITY 10mM in Water

Synonyms

HMS2097N08 | N-Metylpyridinium-2-aldoxime chloride | Pralidoximchlorid | Pralidoxime chloride [USAN] | 2-((Hydroxyimino)methyl)-1-methylpyridin-1-ium chloride | Pralidoxine chloride | 1-Methyl-2-pyridinium aldoxime chloride | AS-13850 | MLS000028727 | 7-C

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

HMS2097N08 | N-Metylpyridinium-2-aldoxime chloride | Pralidoximchlorid | Pralidoxime chloride [USAN] | 2-((Hydroxyimino)methyl)-1-methylpyridin-1-ium chloride | Pralidoxine chloride | 1-Methyl-2-pyridinium aldoxime chloride | AS-13850 | MLS000028727 | 7-C

Specifications & Purity

10mM in Water

Biochemical and Physiological Mechanisms

The prototypical reactivator of acetylcholinesterase that has been inactivated by organophosphorus insecticides or nerve agents. It is now known that no reactivator is effective against a broad spectrum of organophosphorus agents.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Names and Identifiers

• Canonical Smiles: C[N+]1=CC=CC=C1C=NO.[Cl-]
• IUPAC Name: (NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine;chloride
• InChIKey: HIGSLXSBYYMVKI-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O.ClH/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
• Isomeric SMILES: C[N+]1=CC=CC=C1/C=N/O.[Cl-]
• RTECS: UU4200000
• Molecular Weight: 172.61
• Reaxy-Rn: 4163981
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4163981&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyridines
• Alternative Parents: Trialkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Enamines Azacyclic compounds Aminoxides Allylamines Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Tertiary amine - Tertiary aliphatic amine - Enamine - Organic oxoazanium - Allylamine - Azacycle - Aminoxide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Amine - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
• External Descriptors: organic chloride salt - pyridinium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 172.610 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.04 Da
• Monoisotopic Mass: 172.04 Da
• Topological Polar Surface Area: 36.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

References

1. Dianfa Zhao, Jie Liu, Yunshan Zhou, Lijuan Zhang, Yuxu Zhong, Yang Yang, Baoquan Zhao, Mengru Yang, Yong’an Wang.  (2023)  Penetrating the Blood–Brain Barrier for Targeted Treatment of Neurotoxicant Poisoning by Nanosustained-Released 2-PAM@VB1-MIL-101-NH2(Fe).  ACS Applied Materials & Interfaces,      [PMID:36867458] [10.1021/acsami.2c18929]

2. Yang Limin, Qu Linjiao, Zhang Xiaolong, Li Mingming, Liu Zhen.  (2023)  Aptamer-induced in-situ growth of acetylcholinesterase-Cu3(PO4)2 hybrid nanoflowers for electrochemical detection of organophosphorus inhibitors.  Nano Research,      [PMID:] [10.1007/s12274-023-5528-y]

3. Dianfa Zhao, Jie Liu, Lijuan Zhang, Yunshan Zhou, Yuxu Zhong, Yang Yang, Chengcheng Huang, Yong’an Wang.  (2021)  Loading and Sustained Release of Pralidoxime Chloride from Swellable MIL-88B(Fe) and Its Therapeutic Performance on Mice Poisoned by Neurotoxic Agents.  INORGANIC CHEMISTRY,      [PMID:34969248] [10.1021/acs.inorgchem.1c03227]

4. Qiu Sun, Jiyu Du, Li Tian, Jianfeng Wu, Xuelin Zhang.  (2021)  Detection of organophosphorus pesticides: exploring oxime as a probe with improved sensitivity by CeO2-modified electrode.  Analytical Methods,  13  (39): (4634-4641).  [PMID:34542114] [10.1039/D1AY01235E]

5. Linlin Lu, Yunsheng Xia.  (2015)  Enzymatic Reaction Modulated Gold Nanorod End-to-End Self-Assembly for Ultrahigh Sensitively Colorimetric Sensing of Cholinesterase and Organophosphate Pesticides in Human Blood.  ANALYTICAL CHEMISTRY,      [PMID:26217956] [10.1021/acs.analchem.5b02516]

6. Yulin Liu, Longzhan Dong, Qiognzheng Hu, Jingbo Chen, Mashooq Khan.  (2025)  Enzyme Inhibition-Mediated Distance-Based Paper Biosensor for Organophosphate Pesticide Detection in Food Samples.  Chemosensors,  13  (4): (147).  [PMID:] [10.3390/chemosensors13040147]