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· · COA & SDS available for every product · Same-day shipping on in-stock items Samixogrel , CAS No.133276-80-9
Synonyms
Samixogrel | Samixogrel [INN] | 5MB73H1ADH | (E)-6-(4-(2-((4-chlorophenyl)sulfonamido)ethyl)phenyl)-6-(pyridin-3-yl)hex-5-enoic acid | UNII-5MB73H1ADH | dttx30 | (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid | DTX
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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
Samixogrel | Samixogrel [INN] | 5MB73H1ADH | (E)-6-(4-(2-((4-chlorophenyl)sulfonamido)ethyl)phenyl)-6-(pyridin-3-yl)hex-5-enoic acid | UNII-5MB73H1ADH | dttx30 | (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid | DTX
Product Properties Names and Identifiers Canonical Smiles C1=CC(=CN=C1)C(=CCCCC(=O)O)C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl IUPAC Name (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid InChIKey LGHLGTHRJNIRCA-ZXKDJJQISA-N INCHI 1S/C25H25ClN2O4S/c26-22-11-13-23(14-12-22)33(31,32)28-17-15-19-7-9-20(10-8-19)24(5-1-2-6-25(29)30)21-4-3-16-27-18-21/h3-5,7-14,16,18,28H,1-2,6,15,17H2,(H,29,30)/b24-5+ Isomeric SMILES C1=CC(=CN=C1)/C(=C/CCCC(=O)O)/C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl Molecular Weight 485 Reaxy-Rn 6692061 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6692061&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzenesulfonamides Intermediate Tree Nodes Not available Direct Parent Benzenesulfonamides Alternative Parents Benzenesulfonyl compounds Styrenes Medium-chain fatty acids Heterocyclic fatty acids Halogenated fatty acids Chlorobenzenes Unsaturated fatty acids Pyridines and derivatives Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzenesulfonamide - Benzenesulfonyl group - Styrene - Medium-chain fatty acid - Chlorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Fatty acid - Aryl halide - Aryl chloride - Fatty acyl - Unsaturated fatty acid - Pyridine - Organosulfonic acid amide - Aminosulfonyl compound - Heteroaromatic compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. 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 485.000 g/mol XLogP3 5.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 11 Exact Mass 484.122 Da Monoisotopic Mass 484.122 Da Topological Polar Surface Area 105.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 736.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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