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Chemical structure of Saperconazole (R66905)

GC32374

Saperconazole (R66905)

Also known as 2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

Saperconazole (R66905) (R66905) is a broad-spectrum antifungal triazole and has potent activity against Aspergillus with an MIC90 of 0·19 mg/L

ChemicalCAS110588-57-3MW672.72FormulaC35H38F2N8O4
CAS number
110588-57-3
Molecular weight
672.72
Formula
C35H38F2N8O4
Solubility
DMSO ： 25 mg/mL (37·16 mM; ultrasonic and warming and heat to 60°C)
InChIKey
HUADITLKOCMHSB-AVQIMAJZSA-N
Catalogue number
GC32374
Brand
GLPBIO
Computed properties PubChem CID 60456 · XLogP 4.6 · TPSA 101 Ų · H-bond donors 0
XLogP
4.6
TPSA
101 Ų
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
49

SMILES CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

Computed descriptors from PubChem (CID 60456), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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