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· · COA & SDS available for every product · Same-day shipping on in-stock items Pinaverium , CAS No.59995-65-2
Synonyms
Pinaverium | 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium | Pinaverium ion | Pinaverium cation | 4-(2-Bromo-4,5-dimethoxybenzyl)-4-(2-(2-(6,6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy)e
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
Pinaverium | 4-[(2-bromo-4, 5-dimethoxyphenyl)methyl]-4-[2-[2-(6, 6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium | Pinaverium ion | Pinaverium cation | 4-(2-Bromo-4, 5-dimethoxybenzyl)-4-(2-(2-(6, 6-dimethylbicyclo[3.1.1]heptan-2-yl)ethoxy)e
Product Properties Names and Identifiers Canonical Smiles CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C IUPAC Name 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium InChIKey DDHUTBKXLWCZCO-UHFFFAOYSA-N INCHI 1S/C26H41BrNO4/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H3/q+1 Isomeric SMILES CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C Molecular Weight 511.5 Reaxy-Rn 4034486 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4034486&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 Lipids and lipid-like molecules Class Prenol lipids Subclass Monoterpenoids Intermediate Tree Nodes Not available Direct Parent Bicyclic monoterpenoids Alternative Parents Aromatic monoterpenoids Dimethoxybenzenes Phenylmethylamines Phenoxy compounds Anisoles Benzylamines Alkyl aryl ethers Aralkylamines Bromobenzenes Morpholines Aryl bromides Tetraalkylammonium salts Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic salts Organobromides Organic cations Molecular Framework Aromatic heteropolycyclic compounds Substituents Aromatic monoterpenoid - Bicyclic monoterpenoid - Pinane monoterpenoid - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Benzylamine - Anisole - Methoxybenzene - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organonitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic salt - Organobromide - Organopnictogen compound - Organohalogen compound - Organic cation - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. 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 511.500 g/mol XLogP3 5.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 10 Exact Mass 510.222 Da Monoisotopic Mass 510.222 Da Topological Polar Surface Area 36.900 Ų Heavy Atom Count 32 Formal Charge 1 Complexity 596.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 3 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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