rel-(αR,βS)-6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

CAS Registry Number®

137234-75-4

CAS Name

rel-(αR,βS)-6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

Molecular Formula

C16H13ClF3N5O

Molecular Mass

383.76

Cite this Page

rel-(αR,βS)-6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=137234-75-4 (retrieved 2024-11-25) (CAS RN: 137234-75-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H13ClF3N5O/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/t9-,16+/s2

InChIKey

InChIKey=BQDLXFABVRRDFU-RYEWIPQUNA-N

SMILES

[C@@]([C@@H](C)C=1C(F)=C(Cl)N=CN1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3

Canonical SMILES

FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(C=3N=CN=C(Cl)C3F)C

Other Names for this Substance

  • 4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αR,βS)-rel-
  • 4-Pyrimidineethanol, 6-chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,S*)-
  • rel-(αR,βS)-6-Chloro-α-(2,4-difluorophenyl)-5-fluoro-β-methyl-α-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

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