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· · COA & SDS Disponible para cada producto · Envío el mismo día para artículos en stock Samixogrel , CAS No.133276-80-9
Synonyms
Samixogrel|Samixogrel [INN]|(E)-6-(4-(2-((4-chlorophenyl)sulfonamido)ethyl)phenyl)-6-(pyridin-3-yl)hex-5-enoic acid|dttx30|(E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid|(E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-6-pyridin-3-yl-hex-5-enoic acid|(E)-6-(p-(2-(p-Chlorobenzenesulfonamido)ethyl)phenyl)-6-(3-pyridyl)-5-hexenoic acid|6-(4-(2-(((4-Chlorophenyl)sulfonyl)amino)ethyl)phenyl)-6-(3-pyridyl)hex-5-enoic acid
Especificaciones Sinónimos
Samixogrel | Samixogrel [INN] | (E)-6-(4-(2-((4-chlorophenyl)sulfonamido)ethyl)phenyl)-6-(pyridin-3-yl)hex-5-enoic acid | dttx30 | (E)-6-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-6-pyridin-3-ylhex-5-enoic acid | (E)-6-{4-[2-(4-Chloro-benzenesulfonylamino)-ethyl]-phenyl}-6-pyridin-3-yl-hex-5-enoic acid | (E)-6-(p-(2-(p-Chlorobenze Show more
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas
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+
Isómeros SMILES
C1=CC(=CN=C1)/C(=C/CCCC(=O)O)/C2=CC=C(C=C2)CCNS(=O)(=O)C3=CC=C(C=C3)Cl
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6692061&ln=
Datos avanzados Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Clase 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 Descripción 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.
Estructura 3D Objetivos asociados (humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 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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