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· · COA & SDS available for every product · Same-day shipping on in-stock items Scopolamine N-Oxide Hydrobromide Monohydrate - 98% , CAS No.6106-81-6
Synonyms
Scopolamine N-oxide hydrobromide monohydrate | DTXCID0025101 | Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-9-oxido-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, hydrobromide, (alphaS)- | NSC-61807 | Benzeneaceti
Shipped In
Ice chest + Ice pads
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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 -20°C Ships Ice chest + Ice pads 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 Synonyms
Scopolamine N-oxide hydrobromide monohydrate | DTXCID0025101 | Benzeneacetic acid, alpha-(hydroxymethyl)-, (1alpha, 2beta, 4beta, 5alpha, 7beta)-9-methyl-9-oxido-3-oxa-9-azatricyclo(3.3.1.02, 4)non-7-yl ester, hydrobromide, (alphaS)- | NSC-61807 | Benzeneaceti
Specifications & Purity
98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-].Br IUPAC Name [(1R,2R,4S,5S)-9-methyl-9-oxido-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide InChIKey MGNNYKWRWHQLCR-RDYQINQZSA-N INCHI 1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11?,12-,13-,14+,15-,16+,18?;/m1./s1 Isomeric SMILES C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)[O-].Br PubChem CID 6419978 Molecular Weight 418.28
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 Organic acids and derivatives Class Hydroxy acids and derivatives Subclass Beta hydroxy acids and derivatives Intermediate Tree Nodes Not available Direct Parent Beta hydroxy acids and derivatives Alternative Parents Benzene and substituted derivatives Piperidines Morpholines N-alkylpyrrolidines Trialkyl amine oxides Carboxylic acid esters Azacyclic compounds Trisubstituted amine oxides and derivatives Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Oxacyclic compounds Hydrobromides Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organopnictogen compounds Organic oxides Organic zwitterions Molecular Framework Aromatic heteropolycyclic compounds Substituents Beta-hydroxy acid - Morpholine - Monocyclic benzene moiety - Oxazinane - Piperidine - N-alkylpyrrolidine - Benzenoid - Trialkyl amine oxide - Pyrrolidine - Carboxylic acid ester - Oxirane - Organoheterocyclic compound - Ether - Dialkyl ether - Trisubstituted n-oxide - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - N-oxide - Alcohol - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic zwitterion - Organic salt - Hydrobromide - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 400.300 g/mol XLogP3 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 5 Exact Mass 399.068 Da Monoisotopic Mass 399.068 Da Topological Polar Surface Area 77.100 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 460.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 5 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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