Pyridostigmine - Moligand™, ≥95% , Inhibitor of acetylcholinesterase (Cartwright blood group);Inhibitor of butyrylcholinesterase, CAS No.155-97-5, Inhibitor of acetylcholinesterase (Cartwright blood group);Inhibitor of butyrylcholinesterase

CAS: 155-97-5 Cat. No.: P613027 Molecular Weight: 181.21

GRADE & PURITY Moligand™, ≥95%

Synonyms

Spectrum_001603 | 3-(((Dimethylamino)carbonyl)oxy)-1-methylpyridinium | BSPBio_003478 | 3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromide | Spectrum5_001046 | C07410 | Lopac-P-9797 | NCGC00015862-06 | DTXCID3088277 | 3-((Dimethylcarbamoyl)oxy)-1-methylp

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pyridostigmine(Regonol) is an acetylcholinesterase inhibitor that can treat myasthenia gravis by increasing acetylcholine at the postsynaptic motor endplate.

Specifications

Synonyms

Spectrum_001603 | 3-(((Dimethylamino)carbonyl)oxy)-1-methylpyridinium | BSPBio_003478 | 3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromide | Spectrum5_001046 | C07410 | Lopac-P-9797 | NCGC00015862-06 | DTXCID3088277 | 3-((Dimethylcarbamoyl)oxy)-1-methylp

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of acetylcholinesterase (Cartwright blood group);Inhibitor of butyrylcholinesterase

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C[n+]1cccc(c1)OC(=O)N(C)C
• IUPAC Name: (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
• InChIKey: RVOLLAQWKVFTGE-UHFFFAOYSA-N
• INCHI: 1S/C9H13N2O2/c1-10(2)9(12)13-8-5-4-6-11(3)7-8/h4-7H,1-3H3/q+1
• Isomeric SMILES: C[N+]1=CC=CC(=C1)OC(=O)N(C)C
• Alternate CAS: 101-26-8
• Molecular Weight: 181.21

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-methylpyridinium compounds
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-methylpyridinium - Pyridinium - Carbamic acid ester - Heteroaromatic compound - Carbonic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-methylpyridinium compounds. These are methylpyridines that carry a methyl group at the 1-position.
• External Descriptors: pyridinium ion

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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (1 Activities)

Discover Target: ACHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BCHE Tclin Cholinesterase (1 Activities)

Discover Target: BCHE

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Molecular Weight: 181.210 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 181.098 Da
• Monoisotopic Mass: 181.098 Da
• Topological Polar Surface Area: 33.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 1
• Complexity: 182.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1