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· · COA & SDS available for every product · Same-day shipping on in-stock items Siramesine - ≥98% , CAS No.147817-50-3 🧪
Why this grade ≥98% 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 Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F IUPAC Name 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine] InChIKey XWAONOGAGZNUSF-UHFFFAOYSA-N INCHI 1S/C30H31FN2O/c31-25-12-14-26(15-13-25)33-21-23(27-9-2-4-11-29(27)33)7-5-6-18-32-19-16-30(17-20-32)28-10-3-1-8-24(28)22-34-30/h1-4,8-15,21H,5-7,16-20,22H2 Isomeric SMILES C1CN(CCC12C3=CC=CC=C3CO2)CCCCC4=CN(C5=CC=CC=C54)C6=CC=C(C=C6)F Alternate CAS 147817-50-3 PubChem CID 9829526 MeSH Entry Terms 1-(4-fluorophenyl)-3-(4-(4-(4-fluorophenyl)-1-piperidinyl)-1-butyl)-1H-indole;Lu 28-179;Lu-28-179;Siramesine
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 Organoheterocyclic compounds Class Pyrroles Subclass Substituted pyrroles Intermediate Tree Nodes Not available Direct Parent Phenylpyrroles Alternative Parents 3-alkylindoles Isocoumarans Isobenzofurans Fluorobenzenes Aralkylamines Piperidines Aryl fluorides Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents 1-phenylpyrrole - 3-alkylindole - Indole - Indole or derivatives - Isocoumaran - Isobenzofuran - Fluorobenzene - Halobenzene - Aralkylamine - Benzenoid - Piperidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. 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 Molecular Weight 454.600 g/mol XLogP3 6.000 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 6 Exact Mass 454.242 Da Monoisotopic Mass 454.242 Da Topological Polar Surface Area 17.400 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 656.000 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 1
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