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· · COA & SDS disponible pour chaque produit · Expédition le jour même sur les articles en stock Axitirome , CAS No.156740-57-7
Synonyms
Axitirome|Cgs 26214|Cgs-26214|Ethyl (+-)-((4-(3-((4-fluorophenyl)hydroxymethyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)oxoacetate|Axitirome [USAN:INN]|AXITIROME [INN]|Axitirome (USAN/INN)|AXITIROME [USAN]|CGS26214|ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate|Ethyl (+-)-4'-((alpha-(p-fluorophenyl)-alpha,4-dihydroxy-m-tolyl)oxy)-3',5'-dimethyloxanilate|ETHYL (+/-)-((4-(3-((4-FLUOROPHENYL)HYDROXYMETHYL)-4-HYDROXYPHENOXY)-3,5-DIMETHYLPHENYL)AMINO)OXOACETATE|ETHYL (+/-)-4'-((.ALPHA.-(P-FLUOROPHENYL)-.ALPHA.,4-DIHYDROXY-M-TOLYL)OXY)-3',5'-DIMETHYLOXANILATE|Ethyl (4-{3-[(4-fluorophenyl)(hydroxy)methyl]-4-hydroxyphenoxy}-3,5-dimethylanilino)(oxo)acetate|Ethyl 2-((4-(3-((4-fluorophenyl)(hydroxy)methyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)-2-oxoacetate|N-(4-{3-[(4-Fluoro-phenyl)-hydroxy-methyl]-4-hydroxy-phenoxy}-3,5-dimethyl-phenyl)-oxalamic acid ethyl ester
Spécifications Synonymes
Axitirome | Cgs 26214 | Cgs-26214 | Ethyl (+-)-((4-(3-((4-fluorophenyl)hydroxymethyl)-4-hydroxyphenoxy)-3,5-dimethylphenyl)amino)oxoacetate | Axitirome [USAN:INN] | AXITIROME [INN] | Axitirome (USAN/INN) | AXITIROME [USAN] | CGS26214 | ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate | Eth Afficher plus
Conditions de stockage de stockage
Room temperature
Propriétés du produit Noms et identifiants Sourires canoniques
CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C
IUPAC Name
ethyl 2-[4-[3-[(4-fluorophenyl)-hydroxymethyl]-4-hydroxyphenoxy]-3,5-dimethylanilino]-2-oxoacetate
InChIKey
FUBBWDWIGBTUPQ-UHFFFAOYSA-N
INCHI
1S/C25H24FNO6/c1-4-32-25(31)24(30)27-18-11-14(2)23(15(3)12-18)33-19-9-10-21(28)20(13-19)22(29)16-5-7-17(26)8-6-16/h5-13,22,28-29H,4H2,1-3H3,(H,27,30)
Isomères SMILES
CCOC(=O)C(=O)NC1=CC(=C(C(=C1)C)OC2=CC(=C(C=C2)O)C(C3=CC=C(C=C3)F)O)C
Données avancées Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Classe Benzene and substituted derivatives Subclass Diphenylmethanes Intermediate Tree Nodes Not available Direct Parent Diphenylmethanes Alternative Parents Diphenylethers Diarylethers Alpha amino acids and derivatives Anilides m-Xylenes Phenoxy compounds Phenol ethers N-arylamides 1-hydroxy-2-unsubstituted benzenoids Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organofluorides Organopnictogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Diphenylmethane - Diphenylether - Diaryl ether - Alpha-amino acid or derivatives - Anilide - M-xylene - Xylene - Phenoxy compound - N-arylamide - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organohalogen compound - Aromatic alcohol - Organic nitrogen compound - Alcohol - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. 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.
Structure 3D Cibles associées (humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Poids moléculaire 453.500 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 8 Exact Mass 453.159 Da Monoisotopic Mass 453.159 Da Topological Polar Surface Area 105.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 643.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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