(+)-Muscarine chloride - Moligand™, ≥94% , CAS No.2303-35-7

CAS: 2303-35-7 Cat. No.: M336040 Molecular Weight: 209.71 EC Number: 218-963-2

GRADE & PURITY Moligand™, ≥94%

Synonyms

1-((2S,4R,5S)-4-hydroxy-5-methyltetrahydrofuran-2-yl)-N,N,N-trimethylmethanaminium chloride | MUSCARINE CHLORIDE [HSDB]

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Muscarine ((+)-Muscarine) chloride is an agonist of prototype mAChR. Muscarine chloride is a toxin that can stimulate the parasympathetic nervous system.

Specifications

Synonyms

1-((2S, 4R, 5S)-4-hydroxy-5-methyltetrahydrofuran-2-yl)-N, N, N-trimethylmethanaminium chloride | MUSCARINE CHLORIDE [HSDB]

Specifications & Purity

Moligand™, ≥94%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Purity

≥94%

Names and Identifiers

• Canonical Smiles: C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[Cl-]
• IUPAC Name: [(2S,4R,5S)-4-hydroxy-5-methyloxolan-2-yl]methyl-trimethylazanium;chloride
• InChIKey: WUFRNEJYZWHXLC-CTERPIQNSA-M
• INCHI: 1S/C9H20NO2.ClH/c1-7-9(11)5-8(12-7)6-10(2,3)4;/h7-9,11H,5-6H2,1-4H3;1H/q+1;/p-1/t7-,8-,9+;/m0./s1
• Isomeric SMILES: C[C@H]1[C@@H](C[C@H](O1)C[N+](C)(C)C)O.[Cl-]
• WGK Germany: 3
• RTECS: QG3500000
• UN Number: 1544
• Packing Group: II
• Molecular Weight: 209.71
• Reaxy-Rn: 4723998
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4723998&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Monosaccharides
          • Level6 Pentoses

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Monosaccharides
• Direct Parent: Pentoses
• Alternative Parents: Tetrahydrofurans Tetraalkylammonium salts Secondary alcohols Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives Amines
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pentose monosaccharide - Quaternary ammonium salt - Tetraalkylammonium salt - Tetrahydrofuran - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Alcohol - Organic chloride salt - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
• External Descriptors: Not available

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)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)

Discover Target: CHRM3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in 50 mg/ml water
• Sensitivity: Hygroscopic
• Molecular Weight: 209.710 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 209.118 Da
• Monoisotopic Mass: 209.118 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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: 2

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