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CAS 183849-45-8

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4H-1-Benzopyran-4-one, 7-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-(hydroxymethyl)-, hydrochloride (1:1)

Description:
4H-1-Benzopyran-4-one, 7-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-(hydroxymethyl)-, hydrochloride (1:1), identified by CAS number 183849-45-8, is a synthetic organic compound characterized by its complex structure, which includes a benzopyran core, a piperidine moiety, and a fluorinated benzisoxazole. This compound typically exhibits properties such as solubility in polar solvents due to the presence of hydroxymethyl and piperidine groups, while the fluorinated aromatic ring may enhance its lipophilicity. The hydrochloride salt form indicates that it is a protonated species, which can influence its stability and bioavailability. The compound may possess biological activity, potentially acting as a pharmacological agent, although specific therapeutic applications would depend on further research. Its molecular structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Safety and handling precautions should be observed, as with all chemical substances, particularly those with complex organic structures.
Formula:C25H25FN2O5·ClH
InChI:InChI=1S/C25H25FN2O5.ClH/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30;/h2-5,12-13,15-16,29H,1,6-11,14H2;1H
InChI key:InChIKey=FUKIEXAUUAYHPB-UHFFFAOYSA-N
SMILES:FC=1C=C2C(C(=NO2)C3CCN(CCCOC=4C=C5C(=CC4)C(=O)C(CO)=CO5)CC3)=CC1.Cl
Synonyms:
  • Abaperidone hydrochloride
  • 4H-1-Benzopyran-4-one, 7-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-(hydroxymethyl)-, monohydrochloride
  • 4H-1-Benzopyran-4-one, 7-[3-[4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl]propoxy]-3-(hydroxymethyl)-, hydrochloride (1:1)
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