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CAS 136087-84-8

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(2S,4S)-6-Fluoro-2,3-dihydro-2′,5′-dioxospiro[4H-1-benzopyran-4,4′-imidazolidine]-2-carboxylic acid

Description:
(2S,4S)-6-Fluoro-2,3-dihydro-2′,5′-dioxospiro[4H-1-benzopyran-4,4′-imidazolidine]-2-carboxylic acid, with CAS number 136087-84-8, is a complex organic compound characterized by its unique spirocyclic structure, which combines elements of benzopyran and imidazolidine. This compound features a fluorine atom, contributing to its potential reactivity and biological activity. The presence of dioxo groups indicates that it may exhibit significant acidity and potential for hydrogen bonding, which can influence its solubility and interaction with biological targets. The stereochemistry, denoted by the (2S,4S) configuration, suggests specific spatial arrangements that may affect its pharmacological properties. Such compounds are often investigated for their potential therapeutic applications, particularly in medicinal chemistry, due to their structural complexity and the presence of functional groups that can engage in various chemical interactions. Overall, this substance exemplifies the intricate relationship between molecular structure and biological activity, making it a subject of interest in drug discovery and development.
Formula:C12H9FN2O5
InChI:InChI=1S/C12H9FN2O5/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(16)17)10(18)14-11(19)15-12/h1-3,8H,4H2,(H,16,17)(H2,14,15,18,19)/t8-,12-/m0/s1
InChI key:InChIKey=XEEMHUAVPICJLP-UFBFGSQYSA-N
SMILES:O=C1[C@]2(C=3C(O[C@H](C(O)=O)C2)=CC=C(F)C3)NC(=O)N1
Synonyms:
  • Spiro[4H-1-benzopyran-4,4′-imidazolidine]-2-carboxylic acid, 6-fluoro-2,3-dihydro-2′,5′-dioxo-, (2S-cis)-
  • (2S,4S)-6-Fluoro-2,3-dihydro-2′,5′-dioxospiro[4H-1-benzopyran-4,4′-imidazolidine]-2-carboxylic acid
  • Spiro[4H-1-benzopyran-4,4′-imidazolidine]-2-carboxylic acid, 6-fluoro-2,3-dihydro-2′,5′-dioxo-, (2S,4S)-
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