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Arecaidine propargyl ester tosylate - 98%, high purity , CAS No.147202-94-6

Grade & Purity:

≥98%

Cas Number: 147202-94-6
Molecular Weight: 351.42
PubChem CID: 6604936

In stock

Item Number

A287277

Grouped product items
SKU	Size	Availability	Price
A287277-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$65.90
A287277-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$100.90
A287277-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$226.90
A287277-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$423.90
A287277-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$762.90

Muscarinic agonist

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Class A GPCR (4138)

Synonyms	HMS3411G15 \| ARECAIDINE PROPARGYL ESTER TOSYLATE \| NCGC00025363-01 \| AKOS024457820 \| N-Methyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid propargyl ester tosylate \| HMS3675G15 \| DTXSID50424994 \| 4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihyd
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	A potent muscarinic receptor agonist. Shows some selectivity for cardiac versus ileal M2receptors.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	p-Methylbenzenesulfonates
Alternative Parents	Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Alkaloids and derivatives Benzenesulfonyl compounds Hydropyridines Sulfonyls Organosulfonic acids Enoate esters Trialkylamines Amino acids and derivatives Acetylides Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework	Not available
Substituents	P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Alkaloid or derivatives - Benzenesulfonyl group - Toluene - Hydropyridine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Acetylide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position.
External Descriptors	Not available
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

IUPAC Name	4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
INCHI	InChI=1S/C10H13NO2.C7H8O3S/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;1-6-2-4-7(5-3-6)11(8,9)10/h1,5H,4,6-8H2,2H3;2-5H,1H3,(H,8,9,10)
InChIKey	LYHWIOMAWPVTPI-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC=C(C1)C(=O)OCC#C
Molecular Weight	351.42
Reaxy-Rn	8519959
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8519959&ln=

Solubility	Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
Molecular Weight	351.400 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	351.114 Da
Monoisotopic Mass	351.114 Da
Topological Polar Surface Area	92.300 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	478.000
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	2

Arecaidine propargyl ester tosylate - 98%, high purity , CAS No.147202-94-6

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