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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items R-96544 hydrochloride - ≥99%(HPLC) , CAS No.167144-80-1
Synonyms
(2R,4R)-5-[2-[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-3-pyrrolidinol hydrochloride
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Why this grade ≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Sinónimos
(2R, 4R)-5-[2-[2-[2-(3-Methoxyphenyl)ethyl]phenoxy]ethyl]-1-methyl-3-pyrrolidinol hydrochloride
Especificaciones y pureza
≥99%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent, selective 5-HT2receptor antagonist; displays some selectivity for 5-HT2Areceptors (Ki= 1.6 nM). IC50values are 2.2, 310, 2400, 3700, > 5000 and > 5000 nM for 5-HT2, α1-adrenergic, D2dopamine, 5-HT1, 5-HT3andβ-adrenergic receptors respectively. Inhi
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CN1CC(CC1CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC)O.Cl IUPAC Name (3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol;hydrochloride InChIKey OUKRSTJUAQEATQ-GZJHNZOKSA-N INCHI 1S/C22H29NO3.ClH/c1-23-16-20(24)15-19(23)12-13-26-22-9-4-3-7-18(22)11-10-17-6-5-8-21(14-17)25-2;/h3-9,14,19-20,24H,10-13,15-16H2,1-2H3;1H/t19-,20-;/m1./s1 Isómeros SMILES CN1C[C@@H](C[C@H]1CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC)O.Cl PubChem CID 16759150 Peso molecular 391.94
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Clase Stilbenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Stilbenes Alternative Parents Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers N-alkylpyrrolidines Quaternary ammonium salts Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Stilbene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Quaternary ammonium salt - 1,2-aminoalcohol - Secondary alcohol - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Solubilidad Solvent:water, Max Conc. mg/mL: 39.19, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 39.19, Max Conc. mM: 100 Peso molecular 391.900 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 8 Exact Mass 391.191 Da Monoisotopic Mass 391.191 Da Topological Polar Surface Area 41.900 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 405.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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