Keto Itraconazole

For research use only. Not for therapeutic Use.

  • CAT Number: R005130
  • CAS Number: 112560-33-5
  • Molecular Formula: C35H36Cl2N8O5
  • Molecular Weight: 719.624
  • Purity: ≥95%
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Catalog Number R005130
CAS Number 112560-33-5
Synonyms

rel-4-[4-[4-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(1-methyl?-2-oxopropyl)-3H-1,2,4-triazol-3-one; keto-ITZ;

Molecular Formula C35H36Cl2N8O5
Purity ≥95%
Storage -20°C
IUPAC Name 4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3-oxobutan-2-yl)-1,2,4-triazol-3-one
InChI InChI=1S/C35H36Cl2N8O5/c1-24(25(2)46)45-34(47)44(23-40-45)29-6-4-27(5-7-29)41-13-15-42(16-14-41)28-8-10-30(11-9-28)48-18-31-19-49-35(50-31,20-43-22-38-21-39-43)32-12-3-26(36)17-33(32)37/h3-12,17,21-24,31H,13-16,18-20H2,1-2H3/t24?,31-,35-/m0/s1
InChIKey GZEZATDDANETAV-QQPVTLCMSA-N
SMILES CC(C(=O)C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

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