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· · COA & SDS available for every product · Same-day shipping on in-stock items Homatropine methyl bromide - ≥98% , CAS No.80-49-9
Synonyms
[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;bromide | 68JRS2HC1C | Homapin-5 | homatropine methylbromide | Homatropine methylbromide (USP) | A839929 | SW219039-1 | CCG-268291 | Methylbromure d'homatropine [INN-French]
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
[(1R, 5S)-8, 8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;bromide | 68JRS2HC1C | Homapin-5 | homatropine methylbromide | Homatropine methylbromide (USP) | A839929 | SW219039-1 | CCG-268291 | Methylbromure d'homatropine [INN-French]
Specifications & Purity
≥98%
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-] IUPAC Name [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate;bromide InChIKey FUFVKLQESJNNAN-ZZJGABIISA-M INCHI 1S/C17H24NO3.BrH/c1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;/h3-7,13-16,19H,8-11H2,1-2H3;1H/q+1;/p-1/t13-,14+,15?,16?; Isomeric SMILES C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-] RTECS MS9000000 Molecular Weight 370.29 Reaxy-Rn 3923192 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3923192&ln=
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 Alkaloids and derivatives Class Tropane alkaloids Subclass Not available Intermediate Tree Nodes Not available Direct Parent Tropane alkaloids Alternative Parents Piperidines N-alkylpyrrolidines Benzene and substituted derivatives Tetraalkylammonium salts Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic zwitterions Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Amines Molecular Framework Aromatic heteropolycyclic compounds Substituents Tropane alkaloid - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Aromatic alcohol - Organic salt - Organic zwitterion - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as tropane alkaloids. These are organic compounds containing the nitrogenous bicyclic alkaloid parent N-Methyl-8-azabicyclo[3.2.1]octane. 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in water (74 mg/mL at 25 °C), alcohol, ethanol (10 mg/mL at 25 °C), and DMSO (74 mg/mL at 25 °C). Sensitivity Moisture sensitive Refractive Index n20D~1.59 (Predicted) Melt Point(°C) 193.0-198.0° C Molecular Weight 370.300 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 369.094 Da Monoisotopic Mass 369.094 Da Topological Polar Surface Area 46.500 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 373.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 Undefined Atom Stereocenter Count 1 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
Citations of This Product References 1. Pingping Zhou, Chunlei Yue, Yuchen Zhang, Yan Li, Xinyi Da, Xiuqi Zhou, Lidan Ye. (2022) Alleviation of the Byproducts Formation Enables Highly Efficient Biosynthesis of Rosmarinic Acid in Saccharomyces cerevisiae. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:35416041 ] [10.1021/acs.jafc.2c01179 ]
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