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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino Atibeprone , CAS No.153420-96-3
Synonyms
Atibeprone|Atibeprone [INN]|3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one|7-((5-Isopropyl-1,3,4-thiadiazol-2-yl)methoxy)-3,4-dimethylcoumarin|7-((5-Isopropyl-1,3,4 thiadiazol-2-yl)methoxy)-3,4-dimethylcoumarin|7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-dimethyl-chromen-2-one
Specifiche Sinonimi
Atibeprone | Atibeprone [INN] | 3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one | 7-((5-Isopropyl-1,3,4-thiadiazol-2-yl)methoxy)-3,4-dimethylcoumarin | 7-((5-Isopropyl-1,3,4 thiadiazol-2-yl)methoxy)-3,4-dimethylcoumarin | 7-(5-Isopropyl-[1,3,4]thiadiazol-2-ylmethoxy)-3,4-dimethyl-chromen-2-one
Condizioni di conservazione di stoccaggio
Room temperature
Proprietà del prodotto Nomi e identificatori Sorrisi canonici
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NN=C(S3)C(C)C)C
IUPAC Name
3,4-dimethyl-7-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methoxy]chromen-2-one
InChIKey
HQTNJPCZUQAYAB-UHFFFAOYSA-N
INCHI
1S/C17H18N2O3S/c1-9(2)16-19-18-15(23-16)8-21-12-5-6-13-10(3)11(4)17(20)22-14(13)7-12/h5-7,9H,8H2,1-4H3
Isomeri SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=NN=C(S3)C(C)C)C
Dati avanzati Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Classe Coumarins and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Coumarins and derivatives Alternative Parents 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Thiadiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Lactone - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound Descrizione This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). 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.
Struttura 3D Obiettivi associati (umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Peso molecolare 330.400 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 330.104 Da Monoisotopic Mass 330.104 Da Topological Polar Surface Area 89.600 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 494.000 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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