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CAS 188416-20-8

:

(2r,3s/2s,3r)-3-(4-chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride

Description:
The chemical substance known as (2R,3S/2S,3R)-3-(4-chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol hydrochloride, with the CAS number 188416-20-8, is a chiral compound characterized by its specific stereochemistry at the 2 and 3 positions of the butanol moiety. This compound features a pyrimidine ring substituted with chlorine and fluorine atoms, contributing to its potential biological activity. The presence of the difluorophenyl group enhances its lipophilicity, which may influence its pharmacokinetic properties. As a hydrochloride salt, it is typically more soluble in water compared to its free base form, facilitating its use in pharmaceutical formulations. The compound's structural complexity and the presence of multiple halogen substituents suggest potential applications in medicinal chemistry, particularly in the development of antiviral or anticancer agents. Its stereochemistry may also play a crucial role in its interaction with biological targets, making it a subject of interest in drug design and development.
Formula:C16H13ClF3N5O·ClH
InChI:InChI=1/C16H13ClF3N5O.ClH/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19;/h2-4,6-9,26H,5H2,1H3;1H/t9-,16+;/m1./s1
InChI key:InChIKey=ISUMRMYBGZGUMY-UHFFFAOYSA-N
SMILES:C(C(C)C=1C(F)=C(Cl)N=CN1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3.Cl
Synonyms:
  • (2R,3S/2S,3R)-3-(4-Chloro-5-Fluoro-6-Pyrimidinyl)-2-(2,4-Difluorophenyl)-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol HCl
  • (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride
  • (2R,3S/2S,3R)-3-(4-Chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)butan-2-ol HCl
  • (2R,3S/2S,3R)-3-(4-chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-trazol-1-yl)-2-butanol hydrochloride
  • (2R,3S/2S,3R)-3-(4-chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol Hydrochloride
  • (2R,3S/2S,3R)-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol hydrochloride
  • (2R,3S/2S,3R)-3-(6-chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol HCl
  • (2S,3R)-3-(6-chloro-5-fluoro-pyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol hydrochloride
  • 3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol hydrochloride
  • 4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, hydrochloride (1:1)
  • See more synonyms
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