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CAS 67430-45-9

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2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, compd. with 2-propanol, sodium salt (2:1:1)

Description:
The chemical substance known as "2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, compd. with 2-propanol, sodium salt (2:1:1)" and identified by the CAS number 67430-45-9 is a complex organic compound that features a benzopyran core, which is characteristic of flavonoids. This compound includes a hydroxy group and a ketone moiety, contributing to its potential biological activity. The presence of the sodium salt form indicates that it is likely soluble in water, enhancing its utility in various applications, including pharmaceuticals and biochemistry. The compound's structure suggests it may exhibit antioxidant properties, which are common in flavonoid derivatives. Additionally, the inclusion of 2-propanol in its formulation may influence its solubility and stability. Overall, this compound's unique structural features and salt formation suggest potential applications in medicinal chemistry, particularly in the development of therapeutic agents. Further studies would be necessary to fully elucidate its properties and biological activities.
Formula:C19H16O4C3H8O·Na
InChI:InChI=1S/C19H16O4.C3H8O.Na/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22;1-3(2)4;/h2-10,15,21H,11H2,1H3;3-4H,1-2H3;
InChI key:InChIKey=MAARWZUYLSGGHY-UHFFFAOYSA-N
SMILES:C(CC(C)=O)(C1=C(O)C=2C(OC1=O)=CC=CC2)C3=CC=CC=C3.[Na].C(C)(C)O
Synonyms:
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, compd. with 2-propanol, sodium salt (2:1:1)
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-, sodium salt, compd. with 2-propanol (2:1)
  • Sodium, [[3-(α-acetonylbenzyl)-2-oxo-2H-1-benzopyran-4-yl]oxy]-, compd. with iso-PrOH
  • 2-Propanol, compd. with 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one sodium salt (1:2)
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