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CAS 129050-27-7

:

(αS,2R)-6-Fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-2H-1-benzopyran-2-methanol

Description:
The chemical substance known as (αS,2R)-6-Fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-2H-1-benzopyran-2-methanol, with the CAS number 129050-27-7, is a synthetic organic compound that belongs to the class of benzopyran derivatives. This compound features a fluorine atom, which can influence its biological activity and lipophilicity. The presence of a phenylmethylamino group suggests potential interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry indicated by the (αS,2R) notation implies specific spatial arrangements of atoms, which can significantly affect the compound's pharmacological properties. Additionally, the dihydrobenzopyran structure contributes to its potential as a bioactive molecule, possibly exhibiting antioxidant or neuroprotective effects. The hydroxymethyl group enhances its solubility and reactivity. Overall, this compound's unique structural features may provide insights into its potential applications in pharmaceuticals or as a research tool in biochemical studies.
Formula:C18H20FNO2
InChI:InChI=1S/C18H20FNO2/c19-15-7-9-17-14(10-15)6-8-18(22-17)16(21)12-20-11-13-4-2-1-3-5-13/h1-5,7,9-10,16,18,20-21H,6,8,11-12H2/t16-,18+/m0/s1
InChI key:InChIKey=UWHPUMRASBVSQY-FUHWJXTLSA-N
SMILES:[C@@H](CNCC1=CC=CC=C1)(O)[C@@]2(OC=3C(CC2)=CC(F)=CC3)[H]
Synonyms:
  • 2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, [R-(R*,S*)]-
  • (αS,2R)-6-Fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-2H-1-benzopyran-2-methanol
  • 2H-1-Benzopyran-2-methanol, 6-fluoro-3,4-dihydro-α-[[(phenylmethyl)amino]methyl]-, (αS,2R)-
  • (1S)-1-((2R)-6-Fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-[(phenylmethyl)amino]ethanol
  • (-)-(S)-N-Benzyl-2-[(R)-6-fluorochroman-2-yl]-2-hydroxyethanamine
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