3-Oxo-posaconazole (3-​oxo-​1-​piperazinyl)

For research use only. Not for therapeutic Use.

  • CAT Number: R015205
  • CAS Number: 357189-94-7
  • Molecular Formula: C37H40F2N8O5
  • Molecular Weight: 714.775
  • Purity: ≥95%
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Catalog Number R015205
CAS Number 357189-94-7
Synonyms

2,​5-​Anhydro-​1,​3,​4-​trideoxy-​2-​C-​(2,​4-​difluorophenyl)​-​4-​[[4-​[4-​[4-​[1-​[(1S,​2S)​-​1-​ethyl-​2-​hydroxypropyl]​-​1,​5-​dihydro-​5-​oxo-​4H-​1,​2,​4-​triazol-​4-​yl]​phenyl]​-​3-​oxo-​1-​piperazinyl]​phenoxy]​methyl]​-​1-​(1H-​1,​2,​4-​t

Molecular Formula C37H40F2N8O5
Purity ≥95%
Storage -20°C
IUPAC Name 4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]-1-[4-[1-[(2S,3S)-2-hydroxypentan-3-yl]-5-oxo-1,2,4-triazol-4-yl]phenyl]piperazin-2-one
InChI InChI=1S/C37H40F2N8O5/c1-3-34(25(2)48)47-36(50)46(24-42-47)30-7-5-29(6-8-30)45-15-14-43(18-35(45)49)28-9-11-31(12-10-28)51-19-26-17-37(52-20-26,21-44-23-40-22-41-44)32-13-4-27(38)16-33(32)39/h4-13,16,22-26,34,48H,3,14-15,17-21H2,1-2H3/t25-,26+,34-,37-/m0/s1
InChIKey ZZDLBPMUUVZXAY-UZGSICAYSA-N
SMILES CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3=O)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

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